Publications from

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F. Emil Thomasen and Kresten Lindorff-Larsen. (2022) Conformational ensembles of intrinsically disordered proteins and flexible multidomain proteins Biochemical Society Transactions 50(1):541-554.


F. Emil Thomasen, Francesco Pesce, Mette Ahrensback Roesgaard, Giulio Tesei and Kresten Lindorff-Larsen. (2022) Improving Martini 3 for Disordered and Multidomain Proteins Journal of Chemical Theory and Computation 18(4):2033-2041.


Heike I. Rösner, Martina Caldarini, Gregory Potel, Daniel Malmodin, Maria A. Vanoni, Alessandro Aliverti, Ricardo A. Broglia, Birthe B. Kragelund and Guido Tiana. (2022) The denatured state of HIV-1 protease under native conditions Proteins: Structure, Function, and Bioinformatics 90(1):96-109.


Jacob H. Martinsen, Daniel Saar, Catarina B. Fernandes, Benjamin Schuler, Katrine Bugge and Birthe B. Kragelund. (2022) Structure, dynamics, and stability of the globular domain of human linker histone H1.0 and the role of positive charges Protein Science 31(4):918-932.


Johanna Maarit Koivisto, Nina Rødtness Poulsen, Benedikte Stoklund Larsen, M. G. M. Weibull, Amelie Stein, Fabio Doro, Jakob Rahr Winther, Kresten Lindorff-Larsen and Martin Willemoës. (2022) Co-evolution of drug resistance and broadened substrate recognition in HIV protease variants isolated from an Escherichia coli genetic selection system The Biochemical journal 479(4):479-501.


Magnus Haraldson Høie, Matteo Cagiada, Anders Haagen Beck Frederiksen, Amelie Stein and Kresten Lindorff-Larsen. (2022) Predicting and interpreting large-scale mutagenesis data using analyses of protein stability and conservation Cell Reports 38(2).


Nicolai Tidemand Johansen, Marta Bonaccorsi, Tone Bengtsen, Andreas Haahr Larsen, Frederik Grønbæk Tidemand, Martin Cramer Pedersen, Pie Huda, Jens Berndtsson, Tamim Darwish, Nageshewar Rao Yepuri, Anne Martel, Thomas Günther Pomorski, Andrea Bertarello, Mark Sansom, Mikaela Rapp, Ramon Crehuet, Tobias Schubeis, Kresten Lindorff-Larsen, Guido Pintacuda and Lise Arleth. (2022) Mg2+-dependent conformational equilibria in CorA and an integrated view on transport regulation eLife 11.


Sigurd Friis Truelsen, Julie Winkel Missel, Kamil Gotfryd, Per Amstrup Pedersen, Pontus Gourdon, Kresten Lindorff-Larsen and Claus Hélix-Nielsen. (2022) The role of water coordination in the pH-dependent gating of hAQP10 B B A - Biomembranes 1864(1).


Simone Orioli, Carl G. Henning Hansen and Kresten Lindorff-Larsen. (2022) Transient exposure of a buried phosphorylation site in an autoinhibited protein Biophysical Journal 121(1):91-101.


Yulian Gavrilov, Felix Kümmerer, Simone Orioli, Andreas Prestel, Kresten Lindorff-Larsen and Kaare Teilum. (2022) Double Mutant of Chymotrypsin Inhibitor 2 Stabilized through Increased Conformational Entropy Biochemistry 61(3):160-170.



Felix Kümmerer, Simone Orioli, Falk Hoffmann, Yulian Gavrilov, Kaare Teilum and Kresten Lindorff-Larsen. (2021) Fitting Side-Chain NMR Relaxation Data Using Molecular Simulations Journal of Chemical Theory and Computation 17(8):5262-5275.


Amin Sagar, Fátima Herranz-Trillo, Annette Eva Langkilde, Bente Vestergaard and Pau Bernadó. (2021) Structure and thermodynamics of transient protein-protein complexes by chemometric decomposition of SAXS datasets Structure.


Alessandra Luchini, Federica Sebastiani, Frederik Gronbaek Tidemand, Krishna Chaithanya Batchu, Mario Campana, Giovanna Fragneto, Marite Cardenas and Lise Arleth. (2021) Peptide discs as precursors of biologically relevant supported lipid bilayers Journal of Colloid and Interface Science 585:376-385.


Azadeh Shahsavar, Peter Stohler, Gleb Bourenkov, Iwan Zimmermann, Martin Siegrist, Wolfgang Guba, Emmanuel Pinard, Steffen Sinning, Markus A. Seeger, Thomas R. Schneider, Roger J. P. Dawson and Poul Nissen. (2021) Structural insights into the inhibition of glycine reuptake Nature.


Ramsia Geisler, Martin Cramer Pedersen, Natalie Preisig, Yvonne Hannappel, Sylvain Prevost, Rajeev Dattani, Lise Arleth and Thomas Hellweg. (2021) Aescin - a natural soap for the formation of lipid nanodiscs with tunable size Soft Matter 17(7):1888-1900.


Dorota Focht, Caroline Neumann, Joseph Lyons, Ander Eguskiza Bilbao, Rickard Blunck, Lina Malinauskaite, Ilona O. Schwarz, Jonathan A. Javitch, Matthias Quick and Poul Nissen. (2021) A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition EMBO Journal 40(1).


Rasmus Pihl, Rasmus K Jensen, Emil C Poulsen, Lisbeth Jensen, Annette G Hansen, Ida B Thøgersen, József Dobó, Péter Gál, Gregers R Andersen, Jan J Enghild and Steffen Thiel. (2021) ITIH4 acts as a protease inhibitor by a novel inhibitory mechanism Science Advances 7(2).


Andreas Haahr Larsen, Nicolai Tidemand Johansen, Michael Gajhede, Lise Arleth and Soren Roi Midtgaard. (2021) Lipid-bound ApoE3 self-assemble into elliptical disc-shaped particles B B A - Biomembranes 1863(1).


Ariane Zutz, Louise Hamborg, Lasse Ebdrup Pedersen, Maher M. Kassem, Elena Papaleo, Anna Koza, Markus J. Herrgård, Sheila Ingemann Jensen, Kaare Teilum, Kresten Lindorff-Larsen and Alex Toftgaard Nielsen. (2021) A dual-reporter system for investigating and optimizing protein translation and folding in E. coli Nature Communications 12.


Dennis V. Pedersen, Martin Nors Pedersen, Sofia M. M. Mazarakis, Yong Wang, Kresten Lindorff-Larsen, Lise Arleth and Gregers R. Andersen. (2021) Properdin oligomers adopt rigid extended conformations supporting function eLife 10.


Erik W. Martin, F. Emil Thomasen, Nicole M. Milkovic, Matthew J. Cuneo, Christy R. Grace, Amanda Nourse, Kresten Lindorff-Larsen and Tanja Mittag. (2021) Interplay of folded domains and the disordered low-complexity domain in mediating hnRNPA1 phase separation Nucleic Acids Research 49(5):2931-2945.


Estella A. Newcombe, Catarina B. Fernandes, Jeppe E. Lundsgaard, Inna Brakti, Kresten Lindorff-Larsen, Annette E. Langkilde, Karen Skriver and Birthe B. Kragelund. (2021) Insight into Calcium-Binding Motifs of Intrinsically Disordered Proteins Biomolecules 11(8).


Eva Madland, Zarah Forsberg, Yong Wang, Kresten Lindorff-Larsen, Axel Niebisch, Jan Modregger, Vincent G. H. Eijsink, Finn L. Aachmann and Gaston Courtade. (2021) Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus Journal of Biological Chemistry 297(4).


Francesco Pesce and Kresten Lindorff-Larsen. (2021) Refining conformational ensembles of flexible proteins against small-angle x-ray scattering data Biophysical Journal 120(22):5124-5135.


Frederik Friis Theisen, Lasse Staby, Frederik Grønbæk Tidemand, Charlotte O'Shea, Andreas Prestel, Martin Willemoës, Birthe B. Kragelund and Karen Skriver. (2021) Quantification of Conformational Entropy Unravels Effect of Disordered Flanking Region in Coupled Folding and Binding Journal of the American Chemical Society 143(36):14540-14550.


Frederikke Isa Marin, Kristoffer Enøe Johansson, Charlotte O'Shea, Kresten Lindorff-Larsen and Jakob Rahr Winther. (2021) Computational and Experimental Assessment of Backbone Templates for Computational Redesign of the Thioredoxin Fold The Journal of Physical Chemistry B 125(40):11141-11149.


Giulio Tesei, João M. Martins, Micha B. A. Kunze, Yong Wang, Ramon Crehuet and Kresten Lindorff-Larsen. (2021) DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles PLOS Computational Biology 17(1).


Giulio Tesei, Thea K. Schulze, Ramon Crehuet and Kresten Lindorff-Larsen. (2021) Accurate model of liquid-liquid phase behavior of intrinsically disordered proteins from optimization of single-chain properties Proceedings of the National Academy of Sciences of the United States of America 118(44).


João Carlos Moreno Ramos, Valerie Laux, Michael Haertlein, Elisabetta Boeri Erba, Kathrine McAuley, V. Trevor Forsyth, Estelle Mossou, Sine Larsen and Annette Eva Langkilde. (2021) Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme IUCrJ 8(3).


Johnny Birch, Sanaullah Khan, Mikkel Madsen, Christian Kjeldsen, Marie Sofie Møller, Emil G. P. Stender, Günther H. J. Peters, Jens Ø. Duus, Birthe B. Kragelund and Birte Svensson. (2021) Binding Sites for Oligosaccharide Repeats from Lactic Acid Bacteria Exopolysaccharides on Bovine ß-Lactoglobulin Identified by NMR Spectroscopy ACS Omega 6(13):9039-9052.


Julia Koehler Leman, Sergey Lyskov, Steven M. Lewis, Jared Adolf-Bryfogle, Rebecca F. Alford, Kyle Barlow, Ziv Ben-Aharon, Daniel Farrell, Jason Fell, William A. Hansen, Ameya Harmalkar, Jeliazko Jeliazkov, Georg Kuenze, Justyna D. Krys, Ajasja Ljubetic, Amanda L. Loshbaugh, Jack Maguire, Rocco Moretti, Vikram Khipple Mulligan, Morgan L. Nance, Phuong T. Nguyen, Shane Ó Conchúir, Shourya S. Roy Burman, Rituparna Samanta, Shannon T. Smith, Frank Teets, Johanna K. S. Tiemann, Andrew Watkins, Hope Woods, Brahm J. Yachnin, Christopher D. Bahl, Chris Bailey-Kellogg, David Baker, Rhiju Das, Frank DiMaio, Sagar D. Khare, Tanja Kortemme, Jason W. Labonte, Kresten Lindorff-Larsen, Jens Meiler, William Schief, Ora Schueler-Furman, Justin B. Siegel, Amelie Stein, Vladimir Yarov-Yarovoy, Brian Kuhlman, Andrew Leaver-Fay, Dominik Gront, Jeffrey J. Gray and Richard Bonneau. (2021) Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks Nature Communications 12.


Kaare Teilum, Johan G. Olsen and Birthe B. Kragelund. (2021) On the specificity of protein-protein interactions in the context of disorder Biochemical Journal 478(11):2035-2050.


Kaituo Wang, Robert Dagil, Thomas Lavstsen, Sandeep K Misra, Charlotte B. Spliid, Yong Wang, Tobias Gustavsson, Daniel R. Sandoval, Elena Ethel Vidal-Calvo, Swati Choudhary, Mette Ø. Agerbaek, Kresten Lindorff-Larsen, Morten A. Nielsen, Thor G. Theander, Joshua S Sharp, Thomas Mandel Clausen, Pontus Gourdon and Ali Salanti. (2021) Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding Nature Communications 12(1).


Katharina Weinhäupl, Yong Wang, Audrey Hessel, Martha Brennich, Kresten Lindorff-Larsen and Paul Schanda. (2021) Architecture and assembly dynamics of the essential mitochondrial chaperone complex TIM9·10·12 Structure 29(9):1065-1073.e4.


Katrine Bugge, Lasse Staby, Edoardo Salladini, Rasmus G. Falbe-Hansen, Birthe B. Kragelund and Karen Skriver. (2021) aa-Hub domains and intrinsically disordered proteins: a decisive combo Journal of Biological Chemistry 296.


Kresten Lindorff-Larsen and Birthe B. Kragelund. (2021) On the Potential of Machine Learning to Examine the Relationship Between Sequence, Structure, Dynamics and Function of Intrinsically Disordered Proteins Journal of Molecular Biology 433(20).


Kresten Lindorff-Larsen and Kaare Teilum. (2021) Linking thermodynamics and measurements of protein stability Protein engineering, design & selection : PEDS 34.


Lasse Staby, Amanda D. Due, Micha Ben Achim Kunze, Maria Louise Mønster Jørgensen, Karen Skriver and Birthe B. Kragelund. (2021) Flanking Disorder of the Folded aa-Hub Domain from Radical Induced Cell Death1 Affects Transcription Factor Binding by Ensemble Redistribution: Flanking disorder tunes the RCD1-RST ensemble Journal of Molecular Biology 433(24).


Lasse Staby, Katherine R. Kemplen, Amelie Stein, Michael Ploug, Jane Clarke, Karen Skriver, Pétur O. Heidarsson and Birthe B. Kragelund. (2021) Disorder in a two-domain neuronal Ca2+-binding protein regulates domain stability and dynamics using ligand mimicry Cellular and molecular life sciences : CMLS 78:2263-2278.


Lasse Staby, Katrine Bugge, Rasmus Greve Falbe-Hansen, Edoardo Salladini, Karen Skriver and Birthe B. Kragelund. (2021) Connecting the aa-hubs: same fold, disordered ligands, new functions Cell Communication and Signaling 19.


Lise M. Sjøgaard-Frich, Andreas Prestel, Emilie S. Pedersen, Marc Severin, Kristian Kølby Kristensen, Johan G. Olsen, Birthe B. Kragelund and Stine Falsig Pedersen. (2021) Dynamic Na+/H+ exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca2+-dependent NHE1 activation eLife 10.


Louise Hamborg, Daniele Granata, Johan G. Olsen, Jennifer Virginia Roche, Lasse Ebdrup Pedersen, Alex Toftgaard Nielsen, Kresten Lindorff-Larsen and Kaare Teilum. (2021) Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli Communications Biology 4.


Matteo Cagiada, Kristoffer E. Johansson, Audrone Valanciute, Sofie V. Nielsen, Rasmus Hartmann-Petersen, Jun J. Yang, Douglas M. Fowler, Amelie Stein and Kresten Lindorff-Larsen. (2021) Understanding the Origins of Loss of Protein Function by Analyzing the Effects of Thousands of Variants on Activity and Abundance Molecular Biology and Evolution 38(8):3235-3246.


Matteo Lambrughi, Emiliano Maiani, Burcu Aykac Fas, Gary S. Shaw, Birthe B. Kragelund, Kresten Lindorff-Larsen, Kaare Teilum, Gaetano Invernizzi and Elena Papaleo. (2021) Ubiquitin Interacting Motifs: Duality Between Structured and Disordered Motifs Frontiers in Molecular Biosciences 8.


Mustapha Carab Ahmed, Line K. Skaanning, Alexander Jussupow, Estella A. Newcombe, Birthe B. Kragelund, Carlo Camilloni, Annette E. Langkilde and Kresten Lindorff-Larsen. (2021) Refinement of a-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods Frontiers in Molecular Biosciences 8.


Noah Kassem, Raul Araya-Secchi, Katrine Bugge, Abigail Barclay, Helena Steinocher, Adree Khondker, Yong Wang, Aneta J. Lenard, Jochen Bürck, Cagla Sahin, Anne S. Ulrich, Michael Landreh, Martin Cramer Pedersen, Maikel C. Rheinstädter, Per Amstrup Pedersen, Kresten Lindorff-Larsen, Lise Arleth and Birthe B. Kragelund. (2021) Order and disorder - An integrative structure of the full-length human growth hormone receptor Science Advances 7(27).


Peter S. Millard, Birthe B. Kragelund and Meike Burow. (2021) Evolution of A bHLH Interaction Motif International Journal of Molecular Sciences 22(1).


S. Orioli, C. G.Henning Hansen and L. Arleth. (2021) Ab initio determination of the shape of membrane proteins in a nanodisc Acta crystallographica Section D: Structural biology 77:176-193.


Sandro Bottaro, Giovanni Bussi and Kresten Lindorff-Larsen. (2021) Conformational Ensembles of Noncoding Elements in the SARS-CoV-2 Genome from Molecular Dynamics Simulations Journal of the American Chemical Society 143(22):8333-8343.


Sarah F. Ruidiaz, Jesper E. Dreier, Rasmus Hartmann-Petersen and Birthe B. Kragelund. (2021) The disordered PCI-binding human proteins CSNAP and DSS1 have diverged in structure and function Protein Science 30(10):2069-2082.


Sarah K. Gersing, Yong Wang, Martin Grønbæk-Thygesen, Caroline Kampmeyer, Lene Clausen, Martin Willemoës, Claes Andréasson, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2021) Mapping the degradation pathway of a disease-linked aspartoacylase variant PLOS Genetics 17(4).


Sofie V. Nielsen, Rasmus Hartmann-Petersen, Amelie Stein and Kresten Lindorff-Larsen. (2021) Multiplexed assays reveal effects of missense variants in MSH2 and cancer predisposition PLOS Genetics 17(4).


Stefan Hervø-Hansen, Casper Højgaard, Kristoffer Enøe Johansson, Yong Wang, Khadija Wahni, David Young, Joris Messens, Kaare Teilum, Kresten Lindorff-Larsen and Jakob Rahr Winther. (2021) Charge Interactions in a Highly Charge-Depleted Protein Journal of the American Chemical Society 143(6):2500-2508.


Stéphanie Jephthah, Francesco Pesce, Kresten Lindorff-Larsen and Marie Skepö. (2021) Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity Journal of Chemical Theory and Computation 17(10):6634-6646.



Elinor Lazarov, Merle Hillebrand, Simone Schröder, Katharina Ternka, Julia Hofhuis, Andreas Ohlenbusch, Alonso Barrantes-Freer, Luis A. Pardo, Marlene U. Fruergaard, Poul Nissen, Knut Brockmann, Jutta Gärtner and Hendrik Rosewich. (2020) Comparative analysis of alternating hemiplegia of childhood and rapid-onset dystonia-parkinsonism ATP1A3 mutations reveals functional deficits, which do not correlate with disease severity Neurobiology of Disease 143.


Henrik Pedersen, Rasmus K Jensen, Jens Magnus B Jensen, Rachel Fox, Dennis V Pedersen, Heidi G Olesen, Annette G Hansen, Dorte Christiansen, Sofia M M Mazarakis, Neal Lojek, Pernille Hansen, Trine A F Gadeberg, Alessandra Zarantonello, Nick S Laursen, Tom Eirik Mollnes, Matthew B Johnson, Beth Stevens, Steffen Thiel and Gregers R Andersen. (2020) A Complement C3-Specific Nanobody for Modulation of the Alternative Cascade Identifies the C-Terminal Domain of C3b as Functional in C5 Convertase Activity Journal of Immunology 205(8).


Alessandra Zarantonello, Jessy Presumey, Léa Simoni, Esra Yalcin, Rachel Fox, Annette Hansen, Heidi Gytz Olesen, Steffen Thiel, Matthew B Johnson, Beth Stevens, Nick Stub Laursen, Michael C Carroll and Gregers R Andersen. (2020) An Ultrahigh-Affinity Complement C4b-Specific Nanobody Inhibits In Vivo Assembly of the Classical Pathway Proconvertase Journal of Immunology 205(6):1678-1694.


Andreas Haahr Larsen, Jan Skov Pedersen and Lise Arleth. (2020) Assessment of structure factors for analysis of small-angle scattering data from desired or undesired aggregates Journal of Applied Crystallography 53:991-1005.


Joseph A. Lyons, Milena Timcenko, Thibaud Dieudonné, Guillaume Lenoir and Poul Nissen. (2020) P4-ATPases: how an old dog learnt new tricks — structure and mechanism of lipid flippases Current Opinion in Structural Biology 63:65-73.


Lasse Sander Dreyer, Jesper Nygaard, Leila Malik, Thomas Hoeg-Jensen, Rasmus Hoiberg-Nielsen and Lise Arleth. (2020) Structural Insight into the Self-Assembly of a Pharmaceutically Optimized Insulin Analogue Obtained by Small-Angle X-ray Scattering Molecular Pharmaceutics 17(8):2809-2820.


Pernille Seiffert, Katrine Bugge, Mads Nygaard, Gitte W. Haxholm, Jacob H. Martinsen, Martin N. Pedersen, Lise Arleth, Wouter Boomsma and Birthe B. Kragelund. (2020) Orchestration of signaling by structural disorder in class 1 cytokine receptors Cell Communication and Signaling 18(1).


Rasmus K Jensen, Frederic Jabs, Michaela Miehe, Brian Mølgaard, Wolfgang Pfützner, Christian Möbs, Edzard Spillner and Gregers R Andersen. (2020) Structure of intact IgE and the mechanism of ligelizumab revealed by electron microscopy Allergy: European Journal of Allergy and Clinical Immunology 75(8).


Ryan C. Oliver, Wojciech Potrzebowski, Seyed Morteza Najibi, Martin Nors Pedersen, Lise Arleth, Najet Mahmoudi and Ingemar Andre. (2020) Assembly of Capsids from Hepatitis B Virus Core Protein Progresses through Highly Populated Intermediates in the Presence and Absence of RNA ACS NANO 14(8):10226-10238.


Tone Bengtsen, Søren Roi Midtgaard, Viktor Lindahl Holm, Lisbeth Ravnkilde Kjølbye, Nicolai Tidemand Johansen, Giulio Tesei, Sandro Bottaro, Birgit Schiøtt, Lise Arleth and Kresten Lindorff-Larsen. (2020) Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations. eLife 9.


Jens Magnus Bernth Jensen, Nick Stub Laursen, Rasmus Kjeldsen Jensen, Gregers Rom Andersen, Jens Christian Jensenius, Uffe B Skov Sørensen and Steffen Thiel. (2020) Complement activation by human IgG antibodies to galactose-a-1,3-galactose Immunology 161(1):66-79.


David Lof, Guillaume Hamieau, Michael Zalich, Pascal Ducher, Soren Kynde, Soren R. Midtgaard, Claire F. Parasida, Lise Arleth and Grethe Jensen. (2020) Dispersion state of TiO2 pigment particles studied by ultra-small-angle X-ray scattering revealing dependence on dispersant but limited change during drying of paint coating Progress in Organic Coatings 142.


Henrik Pedersen, Rasmus K Jensen, Annette G Hansen, Trine A F Gadeberg, Steffen Thiel, Nick S Laursen and Gregers Andersen. (2020) A C3 specific nanobody that blocks all three activation pathways in the human and murine complement system The Journal of Biological Chemistry 295(26):8746-8758.


Saskia Bucciarelli, Edres Sayed Sayedi, Silvio Osella, Bartosz Trzaskowski, Karina Juul Vissing, Bente Vestergaard and Vito Foderà. (2020) Disentangling the role of solvent polarity and protein solvation in folding and self-assembly of a-lactalbumin Journal of Colloid and Interface Science 561:749-761.


Alessandra Luchini, Frederik G. Tidemand, Raul R. Araya-Secchi and Lise Arleth. (2020) Supported Lipid Bilayers with Asymmetric Membrane Proteins: Controlling the Protein Orientation by using Peptide-Discs Biophysical Journal 118:17A-17A.


Lise Arleth, Nicolai T. Johansen, Tone Bengtsen, Andreas Haahr Larsen, Frederik Tidemand, Thomas Pomorski and Kresten Lindorff-Larsen. (2020) Small-angle Neutron Scattering Shows that the Solution Structures of the Bacterial Mg2+-Channel CorA are Overall Similar with and without Mg2+ Bound Biophysical Journal 118:12A-12A.


Raul Araya-Secchi, Katrine Bugge, Birthe B. Kragelund and Lise Arleth. (2020) Exploring the Protein-Membrane Interactions on the Intracellular Side of PRLR Biophysical Journal 118:57A-57A.


Maxwell M.G. Geurts, Johannes D. Clausen, Bertrand Arnou, Cédric Montigny, Guillaume Lenoir, Robin A. Corey, Christine Jaxel, Jesper V. Møller, Poul Nissen, Jens Peter Andersen, Marc Le Maire and Maike Bublitz. (2020) The SERCA residue Glu340 mediates interdomain communication that guides Ca2+transport Proceedings of the National Academy of Sciences of the United States of America 117(49):31114-31122.


Ruth Hendus-Altenburger, Jens Vogensen, Emilie Skotte Pedersen, Alessandra Luchini, Raul Araya-Secchi, Anne H. Bendsoe, Nanditha Shyam Prasad, Andreas Prestel, Marite Cardenas, Elena Pedraz-Cuesta, Lise Arleth, Stine Helene Falsig Pedersen and Birthe B. Kragelund. (2020) The intracellular lipid-binding domain of human Na+/H+ exchanger 1 forms a lipid-protein co-structure essential for activity Communications Biology 3(1).


Seandean Lykke Harwood, Nadia Sukusu Nielsen, Henrik Pedersen, Katarzyna Kjøge, Peter Kresten Nielsen, Gregers Rom Andersen and Jan Johannes Enghild. (2020) Substituting the Thiol Ester of Human A2M or C3 with a Disulfide Produces Native Proteins with Altered Proteolysis-Induced Conformational Changes Biochemistry 59(51):4799–4809.


Kristian Juul-madsen, Per Qvist, Kirstine L. Bendtsen, Annette E. Langkilde, Bente Vestergaard, Kenneth A. Howard, Martxel Dehesa-etxebeste, Søren R. Paludan, Gregers Rom Andersen, Poul Henning Jensen, Daniel E. Otzen, Marina Romero-ramos and Thomas Vorup-jensen. (2020) Size-Selective Phagocytic Clearance of Fibrillar a-Synuclein through Conformational Activation of Complement Receptor 4 The Journal of Immunology 204(5):1345-1361.


Aina Nedal, Synnøve B. Ræder, Bjørn Dalhus, Emily Helgesen, Rune J. Forstrøm, Kim Lindland, Balagra K. Sumabe, Jacob H. Martinsen, Birthe B. Kragelund, Kirsten Skarstad, Magnar Bjørås and Marit Otterlei. (2020) Peptides containing the PCNA interacting motif APIM bind to the ß-clamp and inhibit bacterial growth and mutagenesis Nucleic Acids Research 48(10):5540-5554.


Amanda B. Abildgaard, Sarah K. Gersing, Sven Larsen-Ledet, Sofie V. Nielsen, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2020) Co-Chaperones in Targeting and Delivery of Misfolded Proteins to the 26S Proteasome Biomolecules 10(8).


Amanda B. Abildgaard, Sarah K. Gersing, Sven Larsen-Ledet, Sofie V. Nielsen, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2020) Co-Chaperones in Targeting and Delivery of Misfolded Proteins to the 26S Proteasome Biomolecules 10(8).


Amanda B. Abildgaard, Sarah K. Gersing, Sven Larsen-Ledet, Sofie V. Nielsen, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2020) Co-Chaperones in Targeting and Delivery of Misfolded Proteins to the 26S Proteasome Biomolecules 10(8).


Andrea Sottini, Alessandro Borgia, Madeleine B. Borgia, Katrine Bugge, Daniel Nettels, Aritra Chowdhury, Pétur O. Heidarsson, Franziska Zosel, Robert B. Best, Birthe B. Kragelund and Benjamin Schuler. (2020) Polyelectrolyte interactions enable rapid association and dissociation in high-affinity disordered protein complexes Nature Communications 11.


Andreas Haahr Larsen, Yong Wang, Sandro Bottaro, Sergei Grudinin, Lise Arleth and Kresten Lindorff-Larsen. (2020) Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution P L o S Computational Biology 16(4).


Birthe B. Kragelund, Andreas Prestel, Nanna Wickmann, Joao Martins, Wouter Boomsma, Lasse Staby, Ruth Hendus-Altenburger and Karen Skriver. (2020) Context Matters in Disorder Based Protein Communication Biophysical Journal 118:491A.


Caroline Kampmeyer, Jens V. Johansen, Christian Holmberg, Magnus Karlson, Sarah K. Gersing, Heloisa N. Bordallo, Birthe B. Kragelund, Mathilde Hauge Lerche, Isabelle Jourdain, Jakob R. Winther and Rasmus Hartmann-Petersen. (2020) Mutations in a Single Signaling Pathway Allow Cell Growth in Heavy Water A C S Synthetic Biology 9(4):733-748.


Dennis V Pedersen, Thies Rösner, Annette G Hansen, Kasper R Andersen, Steffen Thiel, Gregers R Andersen, Thomas Valerius and Nick S Laursen. (2020) Recruitment of properdin by bi-specific nanobodies activates the alternative pathway of complement Molecular Immunology 124:200-210.


Ersoy Cholak, Katrine Bugge, Adree Khondker, Kimmie Gauger, Elena Pedraz-Cuesta, Morten Enghave Pedersen, Saskia Bucciarelli, Bente Vestergaard, Stine F. Pedersen, Maikel C. Rheinstädter, Annette Eva Langkilde and Birthe B. Kragelund. (2020) Avidity within the N-terminal anchor drives a-synuclein membrane interaction and insertion FASEB journal : official publication of the Federation of American Societies for Experimental Biology 34(6):7462-7482.


Frederik Grønbæk Tidemand, Henrik Østergaard, Michael Ploug, Birthe B. Kragelund and Lise Arleth. (2020) Efficient refolding and reconstitution of tissue factor into nanodiscs facilitates structural investigation of a multicomponent system on a lipid bilayer Biochimica et Biophysica Acta - Biomembranes 1862(6).


Heidi A Ernst, Caroline Mosbech, Annette E Langkilde, Peter Westh, Anne S Meyer, Jane Wittrup Agger and Sine Larsen. (2020) The structural basis of fungal glucuronoyl esterase activity on natural substrates Nature Communications 11(1026):1-12.


Helena Gásdal Karstensen, Nanna Dahl Rendtorff, Lone Sandbjerg Hindbæk, Roberto Colombo, Amelie Stein, Niels Holtum Birkebæk, Rasmus Hartmann-Petersen, Kresten Lindorff-Larsen, Allan Thomas Højland, Michael Bjørn Petersen and Lisbeth Tranebjærg. (2020) Novel HARS2 missense variants identified in individuals with sensorineural hearing impairment and Perrault syndrome European Journal of Medical Genetics 63(3).


Iva Sucec, Yong Wang, Ons Dakhlaoui, Katharina Weinhäupl, Tobias Jores, Doriane Costa, Audrey Hessel, Martha Brennich, Doron Rapaport, Kresten Lindorff-Larsen, Beate Bersch and Paul Schanda. (2020) Structural basis of client specificity in mitochondrial membrane-protein chaperones Science Advances 6(51).


James S. Fraser, Kresten Lindorff-Larsen and Massimiliano Bonomi. (2020) What Will Computational Modeling Approaches Have to Say in the Era of Atomistic Cryo-EM Data? Journal of Chemical Information and Modeling 60(5):2410-2412.


João Henriques and Kresten Lindorff-Larsen. (2020) Protein Dynamics Enables Phosphorylation of Buried Residues in Cdk2/Cyclin-A-Bound p27 Biophysical Journal 119(10):2010-2018.


Katrine Bugge, Inna Brakti, Catarina B. Fernandes, Jesper E. Dreier, Jeppe E. Lundsgaard, Johan G. Olsen, Karen Skriver and Birthe B. Kragelund. (2020) Interactions by Disorder - A Matter of Context Frontiers in Molecular Biosciences 16.


Lene Clausen, Amelie Stein, Martin Grønbæk-Thygesen, Lasse Nygaard, Cecilie L. Søltoft, Sofie V. Nielsen, Michael Lisby, Tommer Ravid, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2020) Folliculin variants linked to Birt-Hogg-Dubé syndrome are targeted for proteasomal degradation PLOS Genetics 16(11).


Line K. Skaanning, Angelo Santoro, Thomas Skamris, Jacob Hertz Martinsen, Anna Maria D’Ursi, Saskia Bucciarelli, Bente Vestergaard, Katrine Bugge, Annette Eva Langkilde and Birthe B. Kragelund. (2020) The Non-Fibrillating N-Terminal of a-Synuclein Binds and Co-Fibrillates with Heparin Biomolecules 10(8).


Louise Hamborg, Emma Wenzel Horsted, Kristoffer Enøe Johansson, Martin Willemoës, Kresten Lindorff-Larsen and Kaare Teilum. (2020) Global analysis of protein stability by temperature and chemical denaturation Analytical Biochemistry 605.


Michael Maglegaard Jepsen, Douglas M. Fowler, Rasmus Hartmann-Petersen, Amelie Stein and Kresten Lindorff-Larsen. (2020) Classifying disease-associated variants using measures of protein activity and stability Protein Homeostasis Diseases - Mechanisms and Novel Therapies:91-107.


Mustapha Carab Ahmed, Ramon Crehuet and Kresten Lindorff-Larsen. (2020) Computing, Analyzing, and Comparing the Radius of Gyration and Hydrodynamic Radius in Conformational Ensembles of Intrinsically Disordered Proteins Intrinsically Disordered Proteins - Methods and Protocols:429-445.


Nick S. Laursen, Dennis V. Pedersen, Heidi Gytz, Alessandra Zarantonello, Jens Magnus Bernth Jensen, Annette G. Hansen, Steffen Thiel and Gregers R. Andersen. (2020) Functional and Structural Characterization of a Potent C1q Inhibitor Targeting the Classical Pathway of the Complement System Frontiers in Immunology 11.


Nikolaj R. Christensen, Marta De Luca, Michael B. Lever, Mette Richner, Astrid B. Hansen, Gith Noes-Holt, Kathrine L. Jensen, Mette Rathje, Dennis Bo Jensen, Simon Erlendsson, Christian R.O. Bartling, Ina Ammendrup-Johnsen, Sofie E. Pedersen, Michèle Schönauer, Klaus B. Nissen, Søren R. Midtgaard, Kaare Teilum, Lise Arleth, Andreas T. Sørensen, Anders Bach, Kristian Strømgaard, Claire F. Meehan, Christian B. Vægter, Ulrik Gether and Kenneth L. Madsen. (2020) A high-affinity, bivalent PDZ domain inhibitor complexes PICK1 to alleviate neuropathic pain EMBO Molecular Medicine 12(6).


Noah Kassem, Maher M. Kassem, Stine F. Pedersen, Per Amstrup Pedersen and Birthe B. Kragelund. (2020) Yeast recombinant production of intact human membrane proteins with long intrinsically disordered intracellular regions for structural studies Biochimica et Biophysica Acta - Biomembranes 1862(6).


Peter S. Millard, Katrine Bugge, Riccardo Marabini, Wouter Boomsma, Meike Burow and Birthe B. Kragelund. (2020) IDDomainSpotter: Compositional bias reveals domains in long disordered protein regions—Insights from transcription factors Protein Science 29(1):169-183.


Punam Sonar, Luca Bellucci, Alessandro Mossa, Pétur O. Heidarsson, Birthe B. Kragelund and Ciro Cecconi. (2020) Effects of Ligand Binding on the Energy Landscape of Acyl-CoA-Binding Protein Biophysical Journal 119(9):1821-1832.


Samuel John Hjorth-Jensen, Esko Oksanen, Poul Nissen and Thomas Lykke Møller Sørensen. (2020) Prospects for membrane protein crystals in NMX False:47-68.


Sandro Bottaro, Parker J. Nichols, Beat Vögeli, Michele Parrinello and Kresten Lindorff-Larsen. (2020) Integrating NMR and simulations reveals motions in the UUCG tetraloop Nucleic Acids Research 48(11):5839-5848.


Sandro Bottaro, Tone Bengtsen and Kresten Lindorff-Larsen. (2020) Integrating Molecular Simulation and Experimental Data: A Bayesian/Maximum Entropy Reweighting Approach Structural Bioinformatics - Methods and Protocols:219-240.


Sara Marie Øie Solbak, Jie Zang, Dilip Narayanan, Lars Jakobsen Høj, Saskia Bucciarelli, Charlotte Softley, Sebastian Meier, Annette Eva Langkilde, Charlotte Held Gotfredsen, Michael Sattler and Anders Bach. (2020) Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery Journal of Medicinal Chemistry 63(3):1156-1177.


Simone Orioli, Andreas Haahr Larsen, Sandro Bottaro and Kresten Lindorff-Larsen. (2020) How to learn from inconsistencies: Integrating molecular simulations with experimental data Computational Approaches for Understanding Dynamical Systems - Protein Folding and Assembly:123-176.


Sofie V. Nielsen, Signe M. Schenstrøm, Caspar E. Christensen, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2020) Protein destabilization and degradation as a mechanism for hereditary disease Protein Homeostasis Diseases - Mechanisms and Novel Therapies:111-125.



Milena Timcenko, Joseph A. Lyons, Dovile Januliene, Jakob J. Ulstrup, Thibaud Dieudonné, Cédric Montigny, Miriam Rose Ash, Jesper Lykkegaard Karlsen, Thomas Boesen, Werner Kühlbrandt, Guillaume Lenoir, Arne Moeller and Poul Nissen. (2019) Structure and autoregulation of a P4-ATPase lipid flippase Nature 571(7765):366-370.


Murillo L. Martins, Alexander B. Dinitzen, Eugene Mamontov, Svemir Rudic, Jose E. M. Pereira, Rasmus Hartmann-Petersen, Kenneth W. Herwig and Heloisa N. Bordallo. (2019) Water dynamics in MCF-7 breast cancer cells: a neutron scattering descriptive study Scientific Reports 9.


Nicolai Tidemand Johansen, Frederik Grønbaek Tidemand, Tam T T N Nguyen, Kasper Dyrberg Rand, Martin Cramer Pedersen and Lise Arleth. (2019) Circularized and solubility-enhanced MSPs facilitate simple and high-yield production of stable nanodiscs for studies of membrane proteins in solution F E B S Journal 286(9):1734-1751.


Remy Martin, Andreas Haahr Larsen, Robin Adam Corey, Soren Roi Midtgaard, Henrich Frielinghaus, Christiane Schaffitzel, Lise Arleth and Ian Collinson. (2019) Structure and Dynamics of the Central Lipid Pool and Proteins of the Bacterial Holo-Translocon Biophysical Journal 116(10):1931-1940.


Michael Lückmann, Mette Trauelsen, Marie A Bentsen, Tinne A D Nissen, Joao Martins, Zohreh Fallah, Mads M Nygaard, Elena Papaleo, Kresten Lindorff-Larsen, Thue W Schwartz and Thomas M Frimurer. (2019) Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1 Proceedings of the National Academy of Sciences of the United States of America 116(14):7123-7128.


Aljona Sitsel, Joren De Raeymaecker, Nikolaj Düring Drachmann, Rita Derua, Susanne Smaardijk, Jacob Lauwring Andersen, Ilse Vandecaetsbeek, Jialin Chen, Marc De Maeyer, Etienne Waelkens, Claus Olesen, Peter Vangheluwe and Poul Nissen. (2019) Structures of the heart specific SERCA2a Ca 2+ -ATPase EMBO Journal 38(5).


Poul Nissen. (2019) Thomas A. Steitz (1940-2018) Acta crystallographica Section D: Structural biology 75:354-356.


Marie Lycksell, Nicolai T. Johansen, Rebecca J. Howard, Lise Arleth and Erik Lindahl. (2019) Probing Structural States of a Pentameric Ligand-Gated Ion Channel with Small Angle Neutron Scattering Biophysical Journal 116:36A-37A.


Mateusz Dyla, Magnus Kjærgaard, Hanne Poulsen and Poul Nissen. (2019) Structure and Mechanism of P-Type ATPase Ion Pumps Annual Review of Biochemistry 89:583-603.


Ramsia Geisler, Martin Cramer Pedersen, Yvonne Hannappel, Ralf Schweins, Sylvain Prevost, Rajeev Dattani, Lise Arleth and Thomas Hellweg. (2019) Aescin-Induced Conversion of Gel-Phase Lipid Membranes into Bicelle-like Lipid Nanoparticles Langmuir 35(49):16244-16255.


Ersoy Cholak, Saskia Bucciarelli, Katrine Bugge, Nicolai Tidemand Johansen, Bente Vestergaard, Lise Arleth, Birthe B Kragelund and Annette E Langkilde. (2019) Distinct a-Synuclein:Lipid Co-Structure Complexes Affect Amyloid Nucleation through Fibril Mimetic Behavior Biochemistry 58(50):5052-5065.


Mateusz Dyla, Sara Basse Hansen, Poul Nissen and Magnus Kjaergaard. (2019) Structural dynamics of P-type ATPase ion pumps Biochemical Society Transactions 47(5):1247-1257.


Alessandra Luchini, Achebe N. O. Nzulumike, Tania K. Lind, Tommy Nylander, Robert Barker, Lise Arleth, Kell Mortensen and Marite Cardenas. (2019) Towards biomimics of cell membranes: Structural effect of phosphatidylinositol triphosphate (PIP3) on a lipid bilayer Colloids and Surfaces B: Biointerfaces 173:202-209.


Albert Escobedo, Busra Topal, Micha B. A. Kunze, Juan Aranda, Giulio Chiesa, Daniele Mungianu, Ganeko Bernardo-Seisdedos, Bahareh Eftekharzadeh, Margarida Gairí, Roberta Pierattelli, Isabella C. Felli, Tammo Diercks, Oscar Millet, Jesús García, Modesto Orozco, Ramon Crehuet, Kresten Lindorff-Larsen and Xavier Salvatella. (2019) Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in a transcription factor Nature Communications 10.


Alessandra Luchini, Frederik Grønbæk Tidemand, Nicolai Tidemand Johansen, Mario Campana, Javier Sotres, Michael Ploug, Marité Cárdenas and Lise Arleth. (2019) Peptide disc mediated control of membrane protein orientation in supported lipid bilayers for surface-sensitive investigations Analytical Chemistry 92(1):1081-1088.


Amanda B. Abildgaard, Amelie Stein, Sofie V. Nielsen, Katrine Schultz-Knudsen, Elena Papaleo, Amruta Shrikhande, Eva R Hoffmann, Inge Bernstein, Anne-Marie Gerdes, Masanobu Takahashi, Chikashi Ishioka, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2019) Computational and cellular studies reveal structural destabilization and degradation of MLH1 variants in Lynch syndrome eLife 8.


Amelie Stein, Douglas M. Fowler, Rasmus Hartmann-Petersen and Kresten Lindorff-Larsen. (2019) Biophysical and Mechanistic Models for Disease-Causing Protein Variants Trends in Biochemical Sciences 44(7):575-588.


Andrea Cesari, Sandro Bottaro, Kresten Lindorff-Larsen, Pavel Banás, Jiri Sponer and Giovanni Bussi. (2019) Fitting Corrections to an RNA Force Field Using Experimental Data Journal of Chemical Theory and Computation 15(6):3425-3431.


Andreas Prestel, Nanna Wichmann, Joao M. Martins, Riccardo Marabini, Noah Kassem, Sebastian S. Broendum, Marit Otterlei, Olaf Nielsen, Martin Willemoës, Michael Ploug, Wouter Boomsma and Birthe B. Kragelund. (2019) The PCNA interaction motifs revisited: thinking outside the PIP-box Cellular and Molecular Life Sciences 76(24):4923-4943.


Anne Kathrine Nielsen, Ingvar R. Möller, Yong Wang, Søren G. F. Rasmussen, Kresten Lindorff-Larsen, Kasper D. Rand and Claus J. Loland. (2019) Substrate-induced conformational dynamics of the dopamine transporter Nature Communications 10.


Anne Kathrine Nielsen, Ingvar R. Möller, Yong Wang, Søren G. F. Rasmussen, Kresten Lindorff-Larsen, Kasper D. Rand and Claus J. Loland. (2019) Substrate-induced conformational dynamics of the dopamine transporter Nature Communications 10.


Anne Kathrine Nielsen, Ingvar R. Möller, Yong Wang, Søren G. F. Rasmussen, Kresten Lindorff-Larsen, Kasper D. Rand and Claus J. Loland. (2019) Substrate-induced conformational dynamics of the dopamine transporter Nature Communications 10.


Carolina Cragnell, Lasse Staby, Samuel Lenton, Birthe B. Kragelund and Marie Skepö. (2019) Dynamical Oligomerisation of Histidine Rich Intrinsically Disordered Proteins Is Regulated through Zinc-Histidine Interactions Biomolecules 9(5).


Dennis V. Pedersen, Trine Amalie Fogh Gadeberg, Caroline Thomas, Yong Wang, Nicolas Joram, Rasmus Kjeldsen Jensen, Sofia M. M. Mazarakis, Margot Revel, Carine El Sissy, Steen V. Petersen, Kresten Lindorff-Larsen, Steffen Thiel, Nick Stub Laursen, Véronique Fremeaux-Bacchi and Gregers Rom Andersen. (2019) Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System Frontiers in Immunology 10.


Emil G. P. Stender, Johnny Birch, Christian Kjeldsen, Lau D. Nielsen, Jens Ø. Duus, Birthe B. Kragelund and Birte Svensson. (2019) Alginate Trisaccharide Binding Sites on the Surface of ß-Lactoglobulin Identified by NMR Spectroscopy: Implications for Molecular Network Formation ACS Omega 4(4):6165-6174.


Ida Marie Zobbe Sjøgaard, Simon Bressendorff, Andreas Prestel, Swathi Kausika, Emilie Oksbjerg, Birthe B. Kragelund and Peter Brodersen. (2019) The transmembrane autophagy cargo receptors ATI1 and ATI2 interact with ATG8 through intrinsically disordered regions with distinct biophysical properties Biochemical Journal 476(3):449-465.


Kresten Lindorff-Larsen. (2019) Dissecting the statistical properties of the linear extrapolation method of determining protein stability Protein engineering, design & selection : PEDS 32(10):471-479.


Lene Clausen, Amanda Bering Abildgaard, Sarah K. Gersing, Amelie Stein, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2019) Protein stability and degradation in health and disease Molecular Chaperones in Human Disorders:61-83.


Li He, Emily B. Cohen, Anne P. B. Edwards, Juliana Xavier-Ferrucio, Katrine Bugge, Ross S. Federman, Devin Absher, Richard M. Myers, Birthe B. Kragelund, Diane S. Krause and Daniel DiMaio. (2019) Transmembrane Protein Aptamer Induces Cooperative Signaling by the EPO Receptor and the Cytokine Receptor ß-Common Subunit iScience 17:167-181.


Lise Friis Christensen, Lasse Staby, Katrine Bugge, Charlotte O'Shea, Birthe B. Kragelund and Karen Skriver. (2019) Evolutionary conservation of the intrinsic disorder-based Radical-Induced Cell Death1 hub interactome Scientific Reports 9.


Martin Cramer Pedersen, Yong Wang, Frederik Grønbæk Tidemand, A. Martel, Kresten Lindorff-Larsen and Lise Arleth. (2019) PSX, Protein-Solvent Exchange: software for calculation of deuterium-exchange effects in small-angle neutron scattering measurements from protein coordinates Journal of Applied Crystallography 52(6):1427-1436.


Massimiliano Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth A. Tribello, Pavel Banas, Alessandro Barducci, Mattia Bernetti, Peter G. Bolhuis, Sandro Bottaro, Davide Branduardi, Riccardo Capelli, Paolo Carloni, Michele Ceriotti, Andrea Cesari, Haochuan Chen, Wei Chen, Francesco Colizzi, Sandip De, Marco De La Pierre, Davide Donadio, Viktor Drobot, Bernd Ensing, Andrew L. Ferguson, Marta Filizola, James S. Fraser, Haohao Fu, Piero Gasparotto, Francesco Luigi Gervasio, Federico Giberti, Alejandro Gil-Ley, Toni Giorgino, Gabriella T. Heller, Glen M. Hocky, Marcella Iannuzzi, Michele Invernizzi, Kim E. Jelfs, Alexander Jussupow, Evgeny Kirilin, Alessandro Laio, Vittorio Limongelli, Kresten Lindorff-Larsen, Thomas Lohr, Fabrizio Marinelli, Layla Martin-Samos, Matteo Masetti, Ralf Meyer, Angelos Michaelides, Carla Molteni, Tetsuya Morishita, Marco Nava, Cristina Paissoni, Elena Papaleo, Michele Parrinello, Jim Pfaendtner, Pablo Piaggi, GiovanniMaria Piccini, Adriana Pietropaolo, Fabio Pietrucci, Silvio Pipolo, Davide Provasi, David Quigley, Paolo Raiteri, Stefano Raniolo, Jakub Rydzewski, Matteo Salvalaglio, Gabriele Cesare Sosso, Vojtech Spiwok, Jiri Sponer, David W. H. Swenson, Pratyush Tiwary, Omar Valsson, Michele Vendruscolo, Gregory A. Voth and Andrew White. (2019) Promoting transparency and reproducibility in enhanced molecular simulations Nature Methods 16(8):670-673.


Noureldin Saleh, Yong Wang, Poul Nissen and Kresten Lindorff-Larsen. (2019) Allosteric modulation of the sarcoplasmic reticulum Ca2+ ATPase by thapsigargin via decoupling of functional motions Physical Chemistry Chemical Physics 21(39):21991-21995.


Peter S. Millard, Birthe B. Kragelund and Meike Burow. (2019) R2R3 MYB Transcription Factors - Functions outside the DNA-Binding Domain Trends in Plant Science 24(10):934-946.


Peter S. Millard, Konrad Weber, Birthe B. Kragelund and Meike Burow. (2019) Specificity of MYB interactions relies on motifs in ordered and disordered contexts Nucleic Acids Research 47(18):9592-9608.


Ramon Crehuet, Pedro J. Buigues, Xavier Salvatella and Kresten Lindorff-Larsen. (2019) Bayesian-Maximum-Entropy Reweighting of IDP Ensembles Based on NMR Chemical Shifts Entropy 21(9).


Rasmus Scheller, Amelie Stein, Sofie V. Nielsen, Frederikke I. Marin, Anne-Marie Gerdes, Miriam Di Marco, Elena Papaleo, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2019) Toward mechanistic models for genotype-phenotype correlations in phenylketonuria using protein stability calculations Human Mutation 40(4):444-457.


Rune Thomas Kidmose, Jonathan Juhl, Poul Nissen, Thomas Boesen, Jesper Lykkegaard Karlsen and Bjørn Panyella Pedersen. (2019) Namdinator - Automatic molecular dynamics flexible fitting of structural models into cryo-EM and crystallography experimental maps IUCrJ 6(4):526-531.


Ruth Hendus-Altenburger, Catarina B. Fernandes, Katrine Bugge, Micha B. A. Kunze, Wouter Boomsma and Birthe B. Kragelund. (2019) Random coil chemical shifts for serine, threonine and tyrosine phosphorylation over a broad pH range Journal of Biomolecular NMR 73(12):713–725.


Ruth Hendus-Altenburger, Xinru Wang, Lise M. Sjøgaard-Frich, Elena Pedraz Cuesta, Sarah R. Sheftic, Anne H. Bendsøe, Rebecca Page, Birthe B. Kragelund, Stine F Pedersen and Wolfgang Peti. (2019) Molecular basis for the binding and selective dephosphorylation of Na+/H+ exchanger 1 by calcineurin Nature Communications 10.


S. Jephthah, L. Staby, B. B. Kragelund and M. Skepö. (2019) Temperature Dependence of Intrinsically Disordered Proteins in Simulations: What are We Missing? Journal of Chemical Theory and Computation 15(4):2672-2683.


Sandro Bottaro, Giovanni Bussi, Giovanni Pinamonti, Sabine Reisser, Wouter Boomsma and Kresten Lindorff-Larsen. (2019) Barnaba: software for analysis of nucleic acid structures and trajectories RNA 25(2):219-231.


Thomas Skamris, Carlotta Marasini, Kenneth L. Madsen, Vito Foderà and Bente Vestergaard. (2019) Early Stage Alpha-Synuclein Amyloid Fibrils are Reservoirs of Membrane-Binding Species Scientific Reports 9:1-11.


Xiaolu Geng, Jacob Judas Kain Kirkensgaard, Lise Arleth, Jeanette Otte and Richard Ipsen. (2019) The influence of pH, protein concentration and calcium ratio on the formation and structure of nanotubes from partially hydrolyzed bovine a-lactalbumin Soft Matter 15(24):4787-4796.


Yong Wang, Noureldin Saleh, Xiakun Chu and Kresten Lindorff-Larsen. (2019) A Multi-State Coarse-Grained Simulation Model Captures Conformational Cycling in P-Type ATPases Biophysical Journal 116:300a.



Pavel V. Shliaha, Sebastian Gibb, Vladimir Gorshkov, Malena Schack Jespersen, Gregers R. Andersen, Derek Bailey, Jacob Schwartz, Shannon Eliuk, Veit Schwämmle and Ole N. Jensen. (2018) Maximizing Sequence Coverage in Top-Down Proteomics by Automated Multimodal Gas-Phase Protein Fragmentation Analytical Chemistry 90(21):12519-12526.


Andreas Haahr Larsen, Lise Arleth and Steen Hansen. (2018) Analysis of small-angle scattering data using model fitting and Bayesian regularization Journal of Applied Crystallography 51:1151-1161.


Gregory Smith, Erik Brok, Martin Schmiele, Lise Arleth, Kell Mortensen, Martin Alm and Peter Thomsen. (2018) Small-angle scattering of interpenetrating polymer networks (IPNs) as medical devices with reduced risk of infection ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256.


Joao Henriques, Lise Arleth, Kresten Lindorff-Larsen and Marie Skepo. (2018) On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations Journal of Molecular Biology 430:2521-2539.


Rolf Boelens, Dmitri Svergun, Jan Ellenberg, Stephen Cusack, Martin A. Walsh, Harald Schwalbe, Anastassis Perrakis, Vladimír Sklenár, Jose Maria Carazo Garcia, Hartmut Oschkinat, Andrew Thompson, Marjolein Thunnissen, Bram Koster, Gordon Leonard, Bernhard Brutscher, David I. Stuart, Poul Nissen, Hanna Wacklin, András Perczel, Margarida Archer, Rik Wierenga, Georgios A. Spyroulias, Joel Sussman and (2018) iNEXT: a European facility network to stimulate translational structural biology FEBS Letters 592(12):1909-1917.


Carolin Seuring, Kartik Ayyer, Eleftheria Filippaki, Miriam Barthelmess, Jean-Nicolas Longchamp, Philippe Ringler, Tommaso Pardini, David H Wojtas, Matthew A Coleman, Katerina Dörner, Silje Fuglerud, Greger Hammarin, Birgit Habenstein, Annette E Langkilde, Antoine Loquet, Alke Meents, Roland Riek, Henning Stahlberg, Sébastien Boutet, Mark S Hunter, Jason Koglin, Mengning Liang, Helen M Ginn, Rick P Millane, Matthias Frank, Anton Barty and Henry N Chapman. (2018) Femtosecond X-ray coherent diffraction of aligned amyloid fibrils on low background graphene Nature Communications 9(1).


Ganesan Senthil Kumar, Michael W. Clarkson, Micha Ben Achim Kunze, Daniele Granata, A. Joshua Wand, Kresten Lindorff-Larsen, Rebecca Page and Wolfgang Peti. (2018) Dynamic activation and regulation of the mitogen-activated protein kinase p38 Proceedings of the National Academy of Sciences of the United States of America 115(18):4655-4660.


Sandro Bottaro, Giovanni Bussi, Scott D. Kennedy, Douglas H. Turner and Kresten Lindorff-Larsen. (2018) Conformational ensembles of RNA oligonucleotides from integrating NMR and molecular simulations Science Advances 4(5).


Rasmus K Jensen, Rasmus Pihl, Trine A F Gadeberg, Jan K Jensen, Kasper R Andersen, Steffen Thiel, Nick S Laursen and Gregers Rom Andersen. (2018) A potent complement factor C3-specific nanobody inhibiting multiple functions in the alternative pathway of human and murine complement Journal of Biological Chemistry 293(17):6269-6281.


Simon A Mortensen, Bjørn Sander, Rasmus K Jensen, Jan S Pedersen, Monika M Golas, Steffen Thiel and Gregers R Andersen. (2018) Models of the complement C1 complex Proceedings of the National Academy of Sciences of the United States of America 115(17).


Alessandro Borgia, Madeleine B. Borgia, Katrine Østergaard Bugge, Vera M. Kissling, Pétur O. Heidarsson, Catarina B. Fernandes, Andrea Sottini, Andrea Soranno, Karin J. Buholzer, Daniel Nettels, Birthe Brandt Kragelund, Robert B. Best and Benjamin Schuler. (2018) Extreme disorder in an ultrahigh-affinity protein complex Nature 555:61-66.


Valeria Vetri, Federica Piccirilli, Johannes Krausser, Gianpiero Buscarino, Urszula Lapinska, Bente Vestergaard, Alessio Zaccone and Vito Foderà. (2018) Ethanol Controls the Self-Assembly and Mesoscopic Properties of Human Insulin Amyloid Spherulites The Journal of Physical Chemistry B 122(12):3101-3112.


Muwan Chen, Sofie H. Laursen, Mette Habekost, Camilla H. Knudsen, Susanne H. Buchholdt, Jinrong Huang, Fengping Xu, Xin Liu, Lars Bolund, Yonglun Luo, Poul Nissen, Fabia Febbraro and Mark Denham. (2018) Central and peripheral nervous system progenitors derived from human pluripotent stem cells reveal a unique temporal and cell-type specific expression of PMCAs Frontiers in Cell and Developmental Biology 6.


Tone Bengtsen, Viktor Lindahl Holm, Søren Roi Midtgaard, Lise Arleth and Kresten Lindorff-Larsen. (2018) A Combined Simulation and SAXS Study of the Dynamics of Lipid Nanodiscs Biophysical Journal 114:559A-559A.


Dennis Vestergaard Pedersen, Margot Revel, Trine Amalie Fogh Gadeberg and Gregers Rom Andersen. (2018) Crystallization and X-ray analysis of monodisperse human properdin Acta Crystallographica Section F: Structural Biology Communications 75(2).


Nicolai Tidemand Johansen, Martin Cramer Pedersen, Lionel Porcar, Anne Martel and Lise Arleth. (2018) Introducing SEC-SANS for studies of complex self-organized biological systems Acta crystallographica Section D: Structural biology 74:1178-1191.


Paula Szalai, Jan B. Parys, Geert Bultynck, Søren Brøgger Christensen, Poul Nissen, Jesper V. Møller and Nikolai Engedal. (2018) Nonlinear relationship between ER Ca2+ depletion versus induction of the unfolded protein response, autophagy inhibition, and cell death Cell Calcium 76:48-61.


Thomas Lykke Møller Sørensen, Samuel John Hjorth-Jensen, Esko Oksanen, Jacob Lauwring Andersen, Claus Olesen, Jesper Vuust Møller and Poul Nissen. (2018) Membrane-protein crystals for neutron diffraction Acta crystallographica Section D: Structural biology 74:1208-1218.


Andreas Haahr Larsen, Jerzy Dorosz, Thor Seneca Thorsen, Nicolai Tidemand Johansen, Tamim Darwish, Soren Roi Midtgaard, Lise Arleth and Jette Sandholm Kastrup. (2018) Small-angle neutron scattering studies on the AMPA receptor GluA2 in the resting, AMPA-bound and GYKI-53655-bound states IUCrJ 5:780-793.


Laure Yatime, Nicolas S. Merle, Annette G. Hansen, Niels Anton Friis, Jakob A. Østergaard, Mette Bjerre, Lubka T. Roumenina, Steffen Thiel, Peter Kristensen and Gregers R. Andersen. (2018) A single-domain antibody targeting complement component c5 acts as a selective inhibitor of the terminal pathway of the complement system and thus functionally mimicks the c-terminal domain of the staphylococcus aureusSSL7 protein Frontiers in Immunology 9.


Nicholas Skar-Gislinge, Nicolai Tidemand Johansen, Rasmus Hoiberg-Nielsen and Lise Arleth. (2018) Comprehensive Study of the Self-Assembly of Phospholipid Nanodiscs: What Determines Their Shape and Stoichiometry? Langmuir 34(42):12569-12582.


Signe Marie Schenstrøm, Caio A. Rebula, Michael H. Tatham, Ruth Hendus-Altenburger, Isabelle Jourdain, Ronald T. Hay, Birthe B. Kragelund and Rasmus Hartmann-Petersen. (2018) Expanded Interactome of the Intrinsically Disordered Protein Dss1 Cell Reports 25(4):862-870.


Andreas Prestel, Katrine Bugge, Lasse Staby, Ruth Hendus-Altenburger and Birthe B. Kragelund. (2018) Characterization of Dynamic IDP Complexes by NMR Spectroscopy Intrinsically Disordered Proteins:193-226.


Dhawal Choudhary, Birthe B. Kragelund, Pétur O Heidarsson and Ciro Cecconi. (2018) The Complex Conformational Dynamics of Neuronal Calcium Sensor-1: A Single Molecule Perspective Frontiers in Molecular Neuroscience 11:1-8.


Elena Papaleo, Carlo Camilloni, Kaare Teilum, Michele Vendruscolo and Kresten Lindorff-Larsen. (2018) Molecular dynamics ensemble refinement of the heterogeneous native state of NCBD using chemical shifts and NOEs PeerJ 6:1-24.


Henriette E. Autzen, Heidi Koldso, Phillip J. Stansfeld, Pontus Gourdon, Mark S. P. Sansom and Poul Nissen. (2018) Interactions of a Bacterial Cu(I)-ATPase with a Complex Lipid Environment Biochemistry 57(28):4063-4073.


Jill J. Bouchard, Joel H. Otero, Daniel C. Scott, Elzbieta Szulc, Erik W. Martin, Nafiseh Sabri, Daniele Granata, Melissa R. Marzahn, Kresten Lindorff-Larsen, Xavier Salvatella, Brenda A. Schulman and Tanja Mittag. (2018) Cancer Mutations of the Tumor Suppressor SPOP Disrupt the Formation of Active, Phase-Separated Compartments Molecular Cell 72(1):19-36, e1-e8.


Katharina Weinhaupl, Caroline Lindau, Audrey Hessel, Yong Wang, Conny Schültze, Tobias Jores, Laura Melchionda, Birgit Schönfisch, Hubert Kalbacher, Beate Bersch, Doron Rapaport, Martha Brennich, Kresten Lindorff-Larsen, Nils Wiedemann and Paul Schanda. (2018) Structural Basis of Membrane Protein Chaperoning through the Mitochondrial Intermembrane Space Cell 175(5):1365-1379, e25.


Katrine Østergaard Bugge, Lasse Staby, Katherine Rosemary Kemplen, Charlotte O'Shea, Sidsel Krogh Bendsen, Mikael Kryger Jensen, Johan Gotthardt Olsen, Karen Skriver and Birthe Brandt Kragelund. (2018) Structure of radical-induced cell death1 hub domain reveals a common aa-scaffold for disorder in transcriptional networks Structure 26(5):734-746.


Kristian Kølby Kristensen, Søren Roi Midtgaard, Simon Mysling, Oleg Kovrov, Lars Bo Hansen, Nicholas Skar-Gislinge, Anne P. Beigneux, Birthe Brandt Kragelund, Gunilla Olivecrona, Stephen G. Young, Thomas J. D. Jørgensen, Loren G. Fong and Michael Ploug. (2018) A disordered acidic domain in GPIHBP1 harboring a sulfated tyrosine regulates lipoprotein lipase Proceedings of the National Academy of Sciences of the United States of America 115(26):E6020-E6029.


Kristoffer Enøe Johansson and Kresten Lindorff-Larsen. (2018) Structural heterogeneity and dynamics in protein evolution and design Current Opinion in Structural Biology 48:157-163.


Lotte Emilie Boyhus, Mia Danielsen, Nina Smidt Bengtson, Micha Ben Achim Kunze, Xavier Kubiak, Tjerk J. Sminia, Jacob Hartvig Løper, Phuong Thu Tran, Kresten Lindorff-Larsen, Søren G.F. Rasmussen, Jesper Mosolff Mathiesen and Daniel Sejer Pedersen. (2018) Gs protein peptidomimetics as allosteric modulators of the ß2-adrenergic receptor RSC Advances 8(4):2219-2228.


Maher M. Kassem, Lars B. Christoffersen, Andrea Cavalli and Kresten Lindorff-Larsen. (2018) Enhancing coevolution-based contact prediction by imposing structural self-consistency of the contacts Scientific Reports 8.


Mustapha Carab Hussein Ahmed, Elena Papaleo and Kresten Lindorff-Larsen. (2018) How well do force fields capture the strength of salt bridges in proteins? PeerJ 6.


Paul Santner, Joao Miguel da Silva Martins, Caroline Kampmeyer, Rasmus Hartmann-Petersen, Jonas S. Laursen, Amelie Stein, Christian A Olsen, Isaiah T Arkin, Jakob R. Winther, Martin Willemoës and Kresten Lindorff-Larsen. (2018) Random mutagenesis analysis of the Influenza A M2 proton channel reveals novel resistance mutants Biochemistry 57(41):5957-5968.


Paul Santner, João Miguel da Silva Martins, Jonas S. Laursen, Lars Behrendt, Leise Riber, Christian A Olsen, Isaiah T. Arkin, Jakob R. Winther, Martin Willemoës and Kresten Lindorff-Larsen. (2018) A Robust Proton Flux (pHlux) Assay for Studying the Function and Inhibition of the Influenza A M2 Proton Channel Biochemistry 57(41):5949-5956.


Robert B. Best and Kresten Lindorff-Larsen. (2018) Editorial overview: Theory and simulation: Interpreting experimental data at the molecular level Current Opinion in Structural Biology 49:iv-v.


Sandro Bottaro and Kresten Lindorff-Larsen. (2018) Biophysical experiments and biomolecular simulations: a perfect match? Science 361(6400):355-360.


Saskia Bucciarelli, Søren Roi Midtgaard, Martin Nors Pedersen, Søren Skou, Lise Arleth and Bente Vestergaard. (2018) Size-exclusion chromatography small-angle X-ray scattering of water soluble proteins on a laboratory instrument Journal of Applied Crystallography 51(6):1623-1632.


Søren Roi Midtgaard, Tamim A Darwish, Martin Cramer Pedersen, Pie Huda, Andreas Haahr Larsen, Grethe Vestergaard Jensen, Søren Andreas Røssell Kynde, Nicholas Skar-Gislinge, Agnieszka Janina Zygadlo Nielsen, Claus Olesen, Mickael Blaise, Jerzy Jòzef Dorosz, Thor Seneca Thorsen, Raminta Venskutonyte, Christian Krintel, Jesper V. Møller, Henrich Frielinghaus, Elliot Paul Gilbert, Anne Martel, Jette Sandholm Jensen Kastrup, Poul Erik Jensen, Poul Nissen and Lise Arleth. (2018) Invisible detergents for structure determination of membrane proteins by small-angle neutron scattering F E B S Journal 285(2):357-371.


Y. Chhabra, H. Y. Wong, Louise Fletcher Nikolajsen, Helena Steinocher, A. Papadopulos, K. A. Tunny, F. A. Meunier, A. G. Smith, Birthe Brandt Kragelund, A. J. Brooks and M. J. Waters. (2018) A growth hormone receptor SNP promotes lung cancer by impairment of SOCS2-mediated degradation Oncogene 37:489-501.


Yong Wang, Katrine Østergaard Bugge, Birthe Brandt Kragelund and Kresten Lindorff-Larsen. (2018) Role of protein dynamics in transmembrane receptor signalling Current Opinion in Structural Biology 48:74-82.


Yong Wang, Omar Valsson, Pratyush Tiwary, Michele Parrinello and Kresten Lindorff-Larsen. (2018) Frequency adaptive metadynamics for the calculation of rare-event kinetics Journal of Chemical Physics 149(7):1-7.


Yong Wang, Pengfei Tian, Wouter Boomsma and Kresten Lindorff-Larsen. (2018) Monte Carlo Sampling of Protein Folding by Combining an All-Atom Physics-Based Model with a Native State Bias Journal of Physical Chemistry B 122(49):11174-11185.



Dennis V. Pedersen, Lubka Roumenina, Rasmus K. Jensen, Trine A. F. Gadeberg, Chiara Marinozzi, Capucine Picard, Tania Rybkine, Steffen Thiele, Uffe B. S. Sorensen, Cordula Stover, Veronique Fremeaux-Bacchi and Gregers R. Andersen. (2017) Structural and functional studies of human complement factor P Molecular Immunology 89:197-198.


Johan Gotthardt Olsen, Kaare Teilum and Birthe Brandt Kragelund. (2017) Behaviour of intrinsically disordered proteins in protein-protein complexes with an emphasis on fuzziness Cellular and Molecular Life Sciences 74(17):3175-3183.


Li He, Helena Steinocher, Ashish Shelar, Emily B. Cohen, Erin N. Heim, Birthe Brandt Kragelund, Gevorg Grigoryan and Daniel DiMaio. (2017) Single methyl groups can act as toggle switches to specify transmembrane protein-protein interactions eLife 6.


Magnus Kjærgaard and Birthe Brandt Kragelund. (2017) Functions of intrinsic disorder in transmembrane proteins Cellular and Molecular Life Sciences 74(17):3205-3224.


Pankaj Sehgal, Paula Szalai, Claus Olesen, Helle A Praetorius, Poul Nissen, Søren Brøgger Christensen, Nikolai Engedal and Jesper Vuust Møller. (2017) Inhibition of the sarco/endoplasmic reticulum (ER) Ca2+-ATPase by thapsigargin analogs induces cell death via ER Ca2+ depletion and the unfolded protein response Journal of Biological Chemistry 292:19656-19673.


Rasmus Kjeldsen Jensen, Rasmus Pihl, Nick Stub Laursen, Steffen Thiel and Gregers Rom Andersen. (2017) A novel nanobody inhibitor of the alternative pathway Molecular Immunology 89:198.


Ruth Hendus-Altenburger, Matteo Lambrughi, Thilde Bagger Terkelsen, Stine Helene Falsig Pedersen, Elena Papaleo, Kresten Lindorff-Larsen and Birthe Brandt Kragelund. (2017) A phosphorylation-motif for tuneable helix stabilisation in intrinsically disordered proteins - Lessons from the sodium proton exchanger 1 (NHE1) Cellular Signalling 37:40-51.


Yong Wang, João Martins and Kresten Lindorff-Larsen. (2017) Biomolecular conformational changes and ligand binding: from kinetics to thermodynamics Chemical Science 8(9):6466-6473.


F. Jabs, M. Plum, N. S. Laursen, R. Jensen, M. Miehe, C. Moebs, W. Pfuetzner, T. Jakob, G. R. Andersen and E. Spillner. (2017) An anti-IgE single domain antibody disrupts the interaction of IgE with fceri by acting as functional high affinity mimic of cd23 Allergy: European Journal of Allergy and Clinical Immunology 72:13-13.


Mads Nygaard, Birthe Brandt Kragelund, Elena Papaleo and Kresten Lindorff-Larsen. (2017) An efficient method for estimating the hydrodynamic radius of disordered protein conformations Biophysical Journal 113(3):550-557.


Thomas Jank, Yury Belyi, Christophe Wirth, Sabine Rospert, Zehan Hu, Joern Dengjel, Tina Tzivelekidis, Gregers Rom Andersen, Carola Hunte, Andreas Schlosser and Klaus Aktories. (2017) Protein glutaminylation is a yeast-specific posttranslational modification of elongation factor 1A Journal of Biological Chemistry 292:16014-16023.


Lasse Staby, Charlotte O'Shea, Martin Willemoës, Frederik Theisen, Birthe Brandt Kragelund and Karen Skriver. (2017) Eukaryotic transcription factors: paradigms of protein intrinsic disorder Biochemical Journal 474(15):2509-2532.


Sandro Bottaro and Kresten Lindorff-Larsen. (2017) Mapping the universe of RNA tetraloop folds Biophysical Journal 113(2):257-267.


Simon A Mortensen, Bjørn Sander, Rasmus Kjeldsen Jensen, Jan S Pedersen, Monika Golas, Jens C Jensenius, Annette G Hansen, Steffen Thiel and Gregers R Andersen. (2017) Reply to Arlaud et al.: Structure of the C1 complex and the unbound C1r2s2 tetramer Proceedings of the National Academy of Sciences of the United States of America 114(29):E5768-E5770.


Oliver Fleck, Ulrik Fahnøe, Katrine Vyff Løvschal, Marie-Fabrice Uwamahoro Gasasira, Irina Nikolaeva Marinova, Birthe Brandt Kragelund, Antony M. Carr, Edgar Hartsuiker, Christian Holmberg and Olaf Nielsen. (2017) Deoxynucleoside salvage in fission yeast allows rescue of ribonucleotide reductase deficiency but not Spd1-mediated inhibition of replication Genes 8(5).


Sofie V, Nielsen, Amelie Stein, Alexander B. Dinitzen, Elena Papaleo, Michael H. Tatham, Esben Guldahl Poulsen, Maher Mahmoud Kassem, Lene Juel Rasmussen, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2017) Predicting the impact of Lynch syndrome-causing missense mutations from structural calculations PLoS Genetics 13(4).


Yangzi He, Jonathan P Staley, Gregers Rom Andersen and Klaus H Nielsen. (2017) Structure of DEAH/RHA ATPase Prp43p bound to RNA implicates a pair of hairpins and motif Va in translocation along RNA RNA 23:1110-1124.


Dennis V Pedersen, Lubka T Roumenina, Rasmus K Jensen, Trine Af Gadeberg, Chiara Marinozzi, Capucine Picard, Tania Rybkine, Steffen Thiel, Uffe Bs Sørensen, Cordula Stover, Veronique Fremeaux-Bacchi and Gregers R Andersen. (2017) Functional and structural insight into properdin control of complement alternative pathway amplification E M B O Journal 36(8).


Kaare Teilum, Micha Ben Achim Kunze, Simon Erlendsson and Birthe Brandt Kragelund. (2017) (S)Pinning down protein interactions by NMR Protein Science 26(3):436-451.


Sebastian Stolzenberg, Zheng Li, Matthias Quick, Lina Malinauskaite, Poul Nissen, Harel Weinstein, Jonathan A Javitch and Lei Shi. (2017) The Role of TM5 in Na2 Release and the Conformational Transition of Neurotransmitter:Sodium Symporters toward the Inward-Open State Journal of Biological Chemistry 292.


Thu Phuong Tran, Christian Ørnbøl Larsen, Tobias Røndbjerg, Martina de Foresta, Micha Ben Achim Kunze, Ales Marek, Jacob Hartvig Løper, Lotte-Emilie Boyhus, Astrid Knuhtsen, Kresten Lindorff-Larsen and Daniel Sejer Pedersen. (2017) Diversity-oriented peptide stapling: a third generation copper-catalysed azide–alkyne cycloaddition stapling and functionalisation strategy Chemistry: A European Journal 23(14):3490-3495.


Heike Ilona Rösner, Martina Caldarini, Andreas Prestel, Maria Antonietta Vanoni, Ricardo Americo Broglia, Alessandro Aliverti, Guido Tiana and Birthe Brandt Kragelund. (2017) Cold denaturation of the HIV-1 protease monomer Biochemistry 56(8):1029-1032.


Meng S. Choy, Yang Li, Luciana E. S. F. Machado, Micha Ben Achim Kunze, Christopher R. Connors, Xingyu Wei, Kresten Lindorff-Larsen, Rebecca Page and Wolfgang Peti. (2017) Conformational rigidity and protein dynamics at distinct timescales regulate PTP1B activity and allostery Molecular Cell 65(4):644-658.


Caroline Kampmeyer, Sofie V. Nielsen, Lene Clausen, Amelie Stein, Anne-Marie Axø Gerdes, Kresten Lindorff-Larsen and Rasmus Hartmann-Petersen. (2017) Blocking protein quality control to counter hereditary cancers Genes, Chromosomes & Cancer 56(12):823-831.


Mateusz Dyla, Daniel Terry, Magnus Kjærgaard, Thomas Lykke-Møller Sørensen, Jacob Lauwring Andersen, Jens Peter Andersen, Charlotte Rohde Knudsen, Roger Altman, Poul Nissen and Scott Blanchard. (2017) Dynamics of P-type ATPase transport cycle revealed by single-molecule FRET Nature 551(7680):346-351.


Charlotte Petersen, Mette D. Nielsen, Elise S. Andersen, Astrid Linde Basse, Marie Sophie Isidor, Lasse K. Markussen, Birgitte Martine Viuff, Ian Henry Lambert, Jacob B. Hansen and Stine Helene Falsig Pedersen. (2017) MCT1 and MCT4 expression and lactate flux activity increase during white and brown adipogenesis and impact adipocyte metabolism Scientific Reports 7(1).


Charlotte O'Shea, Lasse Staby, Sidsel Krogh Bendsen, Frederik Grønbæk Tidemand, Andreas Redsted, Martin Willemoës, Birthe Brandt Kragelund and Karen Skriver. (2017) Structures and short linear motif of disordered transcription factor regions provide clues to the interactome of the cellular hub radical-induced cell death1 Journal of Biological Chemistry 292(2):512-527.


Isabel Fatima Herranz Trillo, Minna Grønning Jensen, Andreas van Maarschalkerweerd, Romà Tauler, Bente Vestergaard and Pau Bernadó. (2017) Structural Analysis of Multi-component Amyloid Systems by Chemometric SAXS Data Decomposition Structure 25(1):5–15.


Simon A Mortensen, Bjoern Sander, Rasmus K Jensen, Jan Skov Pedersen, Monika M Golas, Jens C Jensenius, Annette G Hansen, Steffen Thiel and Gregers R Andersen. (2017) Structure and activation of C1, the complex initiating the classical pathway of the complement cascade Proceedings of the National Academy of Sciences of the United States of America 114(5):986-991.


Birthe Brandt Kragelund. (2017) Choreography by Structural Disorder in Membrane Proteins Biophysical Society. Annual Meeting. Abstracts 112:12A.


Carlotta Marasini and Bente Vestergaard. (2017) SAS-Based Studies of Protein Fibrillation False 1009:149-165.


Carlotta Marasini, Vito Foderà and Bente Vestergaard. (2017) Sucrose modulates insulin amyloid-like fibril formation: effect on the aggregation mechanism and fibril morphology RSC Advances 7:10487-10493.


Dorota Focht, Tristan Ian Croll, Bjorn P Pedersen and Poul Nissen. (2017) Improved Model of Proton Pump Crystal Structure Obtained by Interactive Molecular Dynamics Flexible Fitting Expands the Mechanistic Model for Proton Translocation in P-Type ATPases Frontiers in Physiology 8.


Hassina Azouaoui, Cedric Montigny, Thibaud Dieudonné, Philippe Champeil, Aurore Jacquot, José Luis Vázquez-Ibar, Pierre le Maréchal, Jakob Ulstrup, Miriam-Rose Ash, Joseph A Lyons, Poul Nissen and Guillaume Lenoir. (2017) A High and Phosphatidylinositol-4-phosphate (PI4P)-dependent ATPase Activity for the Drs2p/Cdc50p Flippase after Removal of its N- and C-terminal Extensions Journal of Biological Chemistry 292:7954-7970.


Helena Steinocher, Katrine Østergaard Bugge, Louise Fletcher Nikolajsen, Kresten Lindorff-Larsen, Andrew Brooks and Birthe Brandt Kragelund. (2017) Class I Cytokine Receptors: Towards the Inside Biophysical Society. Annual Meeting. Abstracts 112:171A.


Joseph A. Lyons, Andreas Bøggild, Poul Nissen and Jens Frauenfeld. (2017) Saposin-Lipoprotein Scaffolds for Structure Determination of Membrane Transporters False 594:85-99.


Simon Boje Hansen, Nick Stub Laursen, Gregers Rom Andersen and Kasper R Andersen. (2017) Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures Acta crystallographica Section D: Structural biology 73:804-813.


Simon Erlendsson, Kamil Gotfryd, Flemming Hofmann Larsen, Jonas Sigurd Mortensen, Michel-Andreas Geiger, Barth-Jan van Rossum, Hartmut Oschkinat, Ulrik Gether, Kaare Teilum and Claus Juul Løland. (2017) Direct assessment of substrate binding to the Neurotransmitter:Sodium Symporter LeuT by solid state NMR eLife 6.



Maria Giovanna Di Carlo, Valeria Vetri, Gianpiero Buscarino, Maurizio Leone, Bente Vestergaard and Vito Foderà. (2016) Trifluoroethanol modulates a-synuclein amyloid-like aggregate formation, stability and dissolution Biophysical Chemistry 216:23-30.


Tristan Ian Croll and Gregers Rom Andersen. (2016) Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4 Acta crystallographica Section D: Structural biology 72(9):1006-1016.


Bente Vestergaard. (2016) Analysis of biostructural changes, dynamics, and interactions - Small-angle X-ray scattering to the rescue Archives of Biochemistry and Biophysics 602:69-79.


Eva Stephanie Lobbens, Leonid Breydo, Thomas Skamris Pedersen, Bente Vestergaard, Anna K Jäger, Lene Jørgensen, Vladimir Uversky and Marco van de Weert. (2016) Mechanistic study of the inhibitory activity of Geum urbanum extract against a-Synuclein fibrillation B B A - Proteins and Proteomics 1864(9):1160-1169.


Joseph A Lyons, Azadeh Shahsavar, Peter Aasted Paulsen, Bjørn Panyella Pedersen and Poul Nissen. (2016) Expression strategies for structural studies of eukaryotic membrane proteins Current Opinion in Structural Biology 38:137-144.


Maria Risager Jensen, Goran Bajic, Xianwei Zhang, Anne Kjær Laustsen, Heidi Koldsø, Katrine Kirkeby Skeby, Birgit Schiøtt, Gregers R Andersen and Thomas Vorup-Jensen. (2016) Structural basis for simvastatin competitive antagonism of complement receptor 3 Journal of Biological Chemistry.


Sofia Mortensen, Jan Kristian Jensen and Gregers Rom Andersen. (2016) Solution Structures of Complement C2 and its C4 Complexes Propose Pathway Specific Mechanisms for Control and Activation of the Complement Proconvertases Journal of Biological Chemistry 291(32):16494-16507.


Janus Asbjørn Schatz-Jakobsen, yuchun zhang, Krista Johnson, Alyssa Neill, Douglas Sheridan and Gregers Rom Andersen. (2016) Structural Basis for Eculizumab-Mediated Inhibition of the Complement Terminal Pathway Journal of Immunology 197(1):337-344.


Johannes D. Clausen, Maike Bublitz, Bertrand Jean-Paul Arnou, Claus Olesen, Jens Peter Andersen, Jesper Vuust Møller and Poul Nissen. (2016) Crystal Structure of the Vanadate-Inhibited Ca2+-ATPase Structure 24(4):617-623.


Jonas Lindholt, Daniel Mattle, Natalya Fedosova, Poul Nissen and Linda Schuldt. (2016) Isolation, crystallization and crystal structure determination of bovine kidney Na+,K+-ATPase Acta Crystallographica Section F: Structural Biology Communications 72:282-287.


Stéphanie David-Bosne, Michael Voldsgaard Clausen, Hanne Poulsen, Jesper Vuust Møller, Poul Nissen and Marc Le Maire. (2016) Erratum: Reappraising the effects of artemisinin on the ATPase activity of PfATP6 and SERCA1a E255L expressed in Xenopus laevis oocytes (Nature Structural and Molecular Biology (2016) 23 (1-2)) Nature Structural and Molecular Biology 23(4).


Andreas Kirscht, Shreyas S Kaptan, Gerd Patrick Bienert, François Chaumont, Poul Nissen, Bert L de Groot, Per Kjellbom, Pontus Gourdon and Urban Johanson. (2016) Crystal Structure of an Ammonia-Permeable Aquaporin PLoS Biology 14(3):e1002411.


Bjørn Panyella Pedersen, Pontus Gourdon, Xiangyu Liu, Jesper Lykkegaard Karlsen and Poul Nissen. (2016) Initiating heavy-atom-based phasing by multi-dimensional molecular replacement Acta crystallographica Section D: Structural biology 72:440-445.


Rune Thomas Kidmose and Gregers Rom Andersen. (2016) Interacting with the Human Insulin Receptor Structure 24(3):351-352.


Thomas Skamris Pedersen, Xinsheng Tian, Matthias Thorolfsson, Hanne Sophie Karkov, Hanne B Rasmussen, Annette E Langkilde and Bente Vestergaard. (2016) Monoclonal Antibodies Follow Distinct Aggregation Pathways During Production-Relevant Acidic Incubation and Neutralization Pharmaceutical Research 33(3):716-28.


Xianwei Zhang, Goran Bajic, Gregers R Andersen, Stig Hill Christiansen and Thomas Vorup-Jensen. (2016) The cationic peptide LL-37 binds Mac-1 (CD11b/CD18) with a low dissociation rate and promotes phagocytosis B B A - Proteins and Proteomics.


Katrine Østergaard Bugge, Kresten Lindorff-Larsen and Birthe Brandt Kragelund. (2016) Understanding single-pass transmembrane receptor signaling from a structural viewpoint—what are we missing? The FEBS Journal 283(24):4424-4451.


Laure Yatime, Cristine Betzer, Rasmus Kjeldsen Jensen, Sofia Mortensen, Poul Henning Jensen and Gregers Rom Andersen. (2016) The Structure of the RAGE:S100A6 Complex Reveals a Unique Mode of Homodimerization for S100 Proteins Structure 24(12):2043-2052.


Aghiad Ghazal, Josiane P Lafleur, Kell Mortensen, Jörg P Kutter, Lise Arleth and Grethe V Jensen. (2016) Recent advances in X-ray compatible microfluidics for applications in soft materials and life sciences Lab On a Chip 16(22):4263-4295.


Janus A Schatz-Jakobsen, Dennis V Pedersen and Gregers R Andersen. (2016) Structural insight into proteolytic activation and regulation of the complement system Immunological Reviews 274(1):59-73.


Stéphanie David-Bosne, Michael Voldsgaard Clausen, Hanne Poulsen, Jesper Vuust Møller, Poul Nissen and Marc le Maire. (2016) Reappraising the effects of artemisinin on the ATPase activity of PfATP6 and SERCA1a E255L expressed in Xenopus laevis oocytes Nature Structural and Molecular Biology 23(1):1-2.


Andreas Nørgård Larsen, Kasper Kildegaard Sørensen, Nicolai Tidemand Johansen, Anne Martel, Jacob Judas Kain Kirkensgaard, Knud Jørgen Jensen, Lise Arleth and Søren Roi Midtgaard. (2016) Dimeric peptides with three different linkers self-assemble with phospholipids to form peptide nanodiscs that stabilize membrane proteins Soft Matter 12(27):5937-5949.


Birthe Brandt Kragelund, Eric Weterings, Rasmus Hartmann-Petersen and Guido Keijzers. (2016) The Ku70/80 ring in Non-Homologous End-Joining: easy to slip on, hard to remove Frontiers in Bioscience 21(3):514-527.


Birthe Brandt Kragelund, Signe Marie Schenstrøm, Caio A. Rebula, Vikram Govind Panse and Rasmus Hartmann-Petersen. (2016) DSS1/Sem1, a multifunctional and intrinsically disordered protein Trends in Biochemical Sciences 41(5):446-459.


Casper Højgaard, Christian Kofoed, Roall Espersen, Kristoffer Enøe Johansson, Mara Villa, Martin Willemoës, Kresten Lindorff-Larsen, Kaare Teilum and Jakob R. Winther. (2016) A soluble, folded protein without charged amino acid residues Biochemistry 55(28):3949–3956.


Casper Wilkens, Susan Andersen, Bent O. Petersen, An Li, Marta Busse-Wicher, Johnny Birch, Darrell Cockburn, Hiroyuki Nakai, Hans Erik Mølager Christensen, Birthe Brandt Kragelund, Paul Dupree, Barry McCleary, Ole Hindsgaul, Maher Abou Hachem and Birte Svensson. (2016) An efficient arabinoxylan-debranching a-L-arabinofuranosidase of family GH62 from Aspergillus nidulans contains a secondary carbohydrate binding site Applied Microbiology and Biotechnology 100(14):6265-6277.


Cédric Montigny, Joseph Lyons, Philippe Champeil, Poul Nissen and Guillaume Lenoir. (2016) On the molecular mechanism of flippase- and scramblase-mediated phospholipid transport B B A - Molecular and Cell Biology of Lipids 1861.


Elena Papaleo, Giorgio Saladino, Matteo Lambrughi, Kresten Lindorff-Larsen, Francesco Luigi Gervasio and Ruth Nussinov. (2016) The role of protein loops and linkers in conformational dynamics and allostery Chemical Reviews 116(11):6391-6423.


Elena Pedraz Cuesta, Jacob Fredsted, Helene H. Jensen, Annika Bornebusch, Lene N. Nejsum, Birthe Brandt Kragelund and Stine Helene Falsig Pedersen. (2016) Prolactin signaling stimulates invasion via Na+/H+ exchanger NHE1 in T47D human breast cancer cells Molecular Endocrinology 30(7):693-708.


Haili Lin, Gregers Rom Andersen and Laure Yatime. (2016) Crystal structure of human S100A8 in complex with zinc and calcium B M C Structural Biology 16.


Henrik Kofoed Munch, Jesper Nygård, Niels Johan Christensen, Christian Engelbrekt, Mads Østergaard, Trine Porsgaard, Thomas Hoeg-Jensen, Jingdong Zhang, Lise Arleth, Peter Waaben Thulstrup and Knud Jørgen Jensen. (2016) Construction of insulin 18-mer nanoassemblies driven by coordination to Iron(II) and Zinc(II) ions at distinct sites Angewandte Chemie International Edition 55(7):2378-2381.


Inga Newie, Rolf Søkilde, Helena Persson, Thiago Jacomasso, Andrej Gorbatenko, Åke Borg, Michiel de Hoon, Stine Helene Falsig Pedersen and Carlos Rovira. (2016) HER2-encoded mir-4728 forms a receptor-independent circuit with miR-21-5p through the non-canonical poly(A) polymerase PAPD5 Scientific Reports 6.


Jonas Lindholt Gregersen, Natalya Fedosova, Poul Nissen and Thomas Boesen. (2016) Reconstitution of Na,K-ATPase in Nanodiscs Methods in Molecular Biology 1377:403-409.


Katrine Østergaard Bugge, Elena Papaleo, Gitte Wolfsberg Haxholm, Jonathan T.S. Hopper, Carol V. Robinson, Johan Gotthardt Olsen, Kresten Lindorff-Larsen and Birthe Brandt Kragelund. (2016) A combined computational and structural model of the full-length human prolactin receptor Nature Communications 7.


Kresten Lindorff-Larsen, Paul Maragakis, Stefano Piana and David E Shaw. (2016) Picosecond to Millisecond Structural Dynamics in Human Ubiquitin Journal of Physical Chemistry B 120(33):8313-8320.


Kristoffer Enøe Johansson, Nicolai Tidemand Johansen, Signe Christensen, Scott Horowitz, James C. A. Bardwell, Johan Gotthardt Olsen, Martin Willemoës, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg, Thomas Wim Hamelryck and Jakob R. Winther. (2016) Computational redesign of thioredoxin is hypersensitive towards minor conformational changes in the backbone template Journal of Molecular Biology 428(21):4361-4377.


Maher Mahmoud Kassem, Yong Wang, Wouter Krogh Boomsma and Kresten Lindorff-Larsen. (2016) Structure of the bacterial cytoskeleton protein bactofilin by NMR chemical shifts and sequence variation Biophysical Journal 110(11):2342-2348.


Mateusz Dyla, Jacob Andersen, Magnus Kjaergaard, Victoria Birkedal, Daniel S. Terry, Roger B. Altman, Scott Blanchard, Poul Nissen and Charlotte R Knudsen. (2016) Engineering a prototypic P-type ATPase Listeria Monocytogenes Ca(2+)-ATPase 1 for single-molecule FRET studies Bioconjugate Chemistry 27(9):2176-2187.


Matteo Lambrughi, Luca De Gioia, Francesco Luigi Gervasio, Kresten Lindorff-Larsen, Ruth Nussinov, Chiara Urani, Maurizio Bruschi and Elena Papaleo. (2016) DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions Nucleic Acids Research 44(19):9096-9109.


Michael Voldsgaard Clausen, Poul Nissen and Hanne Poulsen. (2016) The a4 isoform of the Na+ ,K+ -ATPase is tuned for changing extracellular environments The F E B S Journal (Online) 283(2):282-293.


Nicholas Peter Schafer, Ha H. Truong, Daniel E. Otzen, Kresten Lindorff-Larsen and Peter G. Wolynes. (2016) Topological constraints and modular structure in the folding and functional motions of GlpG, an intramembrane protease Proceedings of the National Academy of Sciences of the United States of America 113(8):2098-2103.


Pengfei Tian, Kresten Lindorff-Larsen, Wouter Krogh Boomsma, Mogens Hogh Jensen and Daniel Erik Otzen. (2016) A Monte Carlo study of the early steps of functional amyloid formation P L o S One 11(1).


Richard T. Timms, Sam A. Menzies, Iva A. Tchasovnikarova, Lea Cecilie Christensen, James C. Williamson, Robin Antrobus, Gordon Dougan, Lars Ellgaard and Paul J. Lehner. (2016) Genetic dissection of mammalian ERAD through comparative haploid and CRISPR forward genetic screens Nature Communications 7.


Ruth Hendus-Altenburger, Elena Pedraz Cuesta, Christina Wilkens Olesen, Elena Papaleo, Jeff Alexander Schnell, Jonathan T. S. Hopper, Carol V. Robinson, Stine Helene Falsig Pedersen and Birthe Brandt Kragelund. (2016) The human Na+/H+ exchanger 1 is a membrane scaffold protein for extracellular signal-regulated kinase 2 BMC Biology 14.


Wouter Krogh Boomsma, Sofie Vincents Nielsen, Kresten Lindorff-Larsen, Rasmus Hartmann-Petersen and Lars Ellgaard. (2016) Bioinformatics analysis identifies several intrinsically disordered human E3 ubiquitin-protein ligases PeerJ 4.


Xiaolu Geng, Morten Jannik Bjerrum, Lise Arleth, Jeanette Otte and Richard Ipsen. (2016) Formation of nanotubes and gels at a broad pH range upon partial hydrolysis of bovine a-lactalbumin International Dairy Journal 52:72-81.


Yong Wang, Elena Papaleo and Kresten Lindorff-Larsen. (2016) Mapping transiently formed and sparsely populated conformations on a complex energy landscape eLife 5.

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