Publications from Structural Biology and NMR Laboratory (SBINLab)

Total publications from unit:

2019

1.

Lau Dalby Nielsen, Christian Parsbæk Pedersen, Simon Erlendsson and Kaare Teilum. (2019) The Capsid Domain of Arc Changes Its Oligomerization Propensity through Direct Interaction with the NMDA Receptor Structure 15(1):77-82.

2.

Lau D Nielsen, Mads M Foged, Anastasia Albert, Andreas B Bertelsen, Cecilie L Søltoft, Samuel D Robinson, Steen V Petersen, Anthony W Purcell, Baldomero M Olivera, Raymond S Norton, Terje Vasskog, Helena Safavi-Hemami, Kaare Teilum and Lars Ellgaard. (2019) The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework The Journal of Biological Chemistry 286(2):308-10.

3.

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.

4.

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 116(14):1-14.

5.

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.

6.

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 25(2):219-231.

7.

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.

8.

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

9.

Sandro Bottaro, Giovanni Bussi, Giovanni Pinamonti, Sabine Reisser, Wouter Boomsma and Kresten Lindorff-Larsen. (2019) Barnaba RNA 25(2):219-231.

10.

Simon Erlendsson, Thor Seneca Thorsen, Georges Vauquelin, Ina Ammendrup-Johnsen, Volker Wirth, Karen L. Martinez, Kaare Teilum, Ulrik Gether and Kenneth Lindegaard Madsen. (2019) Mechanisms of PDZ domain scaffold assembly illuminated by use of supported cell membrane sheets eLife 8(1):1-27.

2018

11.

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.

12.

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.

13.

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(4):61-66.

14.

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 48(4):74-82.

15.

Dhawal Choudhary, Birthe B. Kragelund, Pétur O Heidarsson and Ciro Cecconi. (2018) The Complex Conformational Dynamics of Neuronal Calcium Sensor-1 Frontiers in Molecular Neuroscience 11(5):1-8.

16.

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(2):1-24.

17.

Elissa D. Pastuzyn, Cameron E. Day, Rachel B. Kearns, Madeleine Kyrke-Smith, Andrew V. Taibi, John McCormick, Nathan Yoder, David M. Belnap, Simon Erlendsson, Dustin R. Morado, John A. G. Briggs, Cédric Feschotte and Jason D. Shepherd. (2018) The Neuronal Gene Arc Encodes a Repurposed Retrotransposon Gag Protein that Mediates Intercellular RNA Transfer Cell 172:275-288, E18.

18.

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.

19.

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.

20.

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.

21.

Kim Krighaar Rasmussen, Maria Hansen Falkesgaard, Malene Winther, Nikolaj Kulahin Roed, Christine Louise Ander Quistgaard, Marie Nygaard Teisen, Sofie Marie Edslev, David Leander Petersen, Ali Aljubouri, Claus Christensen, Peter Waaben Thulstrup, Leila Lo Leggio, Kaare Teilum and Peter Schledermann Walmod. (2018) NCAM2 Fibronectin type-III domains form a rigid structure that binds and activates the Fibroblast Growth Factor Receptor Scientific Reports 8(2):1-27.

22.

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.

23.

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(5):74-82.

24.

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(1):19-36, e1-e8.

25.

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.

26.

Rasmus Herlo, Viktor K. Lund, Matthew D. Lycas, Anna M. Jansen, George Khelashvili, Rita Chan Andersen, Vikram Bhatia, Thomas S. Pedersen, Pedro B. C. Albornoz, Niklaus Johner, Ina Ammendrup-Johnsen, Nikolaj R. Christensen, Simon Erlendsson, Mikkel Stoklund, Jannik B. Larsen, Harel Weinstein, Ole Kjærulff, Dimitrios Stamou, Ulrik Gether and Kenneth Lindegaard Madsen. (2018) An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1 Cell Reports 23(7):2056-2069.

27.

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(5):iv-v.

28.

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

29.

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):19-36, e1-e8.

30.

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.

31.

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(5):489-501.

32.

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(5):74-82.

33.

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.

2017

34.

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.

35.

Daniel Stiefler-Jensen, Troels Schwarz-Linnet, Casper de Lichtenberg, Tam T. T. N. Nguyen, Kasper Dyrberg Rand, Li Huang, Qunxin She and Kaare Teilum. (2017) The extraordinary thermal stability of EstA from S. islandicus is independent of post translational modifications Protein Science 26(9):1819-1827.

36.

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.

37.

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(26):E6020-E6029.

38.

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

39.

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(9):40-51.

40.

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

41.

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.

42.

Sandra Muschiol, Simon Erlendsson, Marie-Stephanie Aschtgen, Vitor Oliveira, Peter Schmieder, Casper de Lichtenberg, Kaare Teilum, Thomas Boesen, Umit Akbey and Birgitta Henriques-Normark. (2017) Structure of the competence pilus major pilin ComGC in Streptococcus pneumoniae Journal of Biological Chemistry 292(34):14134-14146.

43.

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

44.

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

45.

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):2509-2532.

46.

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):257-267.

47.

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.

48.

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 Chemistry: A European Journal 23(14):3490-3495.

49.

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.

50.

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.

51.

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.

52.

Arun Kumar Somavarapu, Fei Shen, Kaare Teilum, Jingdong Zhang, Susanne Mossin, Peter W. Thulstrup, Morten J. Bjerrum, Manish K. Tiwari, Daniel Szunyogh, Peter M. Søtofte, Kasper P. Kepp and Lars Hemmingsen. (2017) The Pathogenic A2V Mutant Exhibits Distinct Aggregation Kinetics, Metal Site Structure, and Metal Exchange of the Cu2+-Aß Complex Chemistry - A European Journal 23(55):13591-13595.

53.

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

54.

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

55.

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(3):436-451.

56.

Troels Rahbek-Clemmensen, Matthew D. Lycas, Simon Erlendsson, Jacob Eriksen, Mia Apuschkin, Frederik Vilhardt, Trine N. Jorgensen, Freja H. Hansen and Ulrik Gether. (2017) Super-resolution microscopy reveals functional organization of dopamine transporters into cholesterol and neuronal activity-dependent nanodomains Nature Communications 8(3):436-451.

2016

57.

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 F E B S Journal 283(24):4424-4451.

58.

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

59.

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.

60.

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.

61.

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.

62.

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.

63.

Jeppe Trudslev Pedersen, Serene W. Chen, Christian Bernsen Borg, Samuel Ness, Justyna M. Bahl, Niels H. H. Heegard, Christopher M. Dobson, Lars Bo Stegeager Hemmingsen, Nunilo Cremades and Kaare Teilum. (2016) Amyloid-ß and a-synuclein decrease the level of metal-catalyzed reactive oxygen species by radical scavenging and redox silencing Journal of the American Chemical Society 138(12):3966-3969.

64.

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(21):4361-4377.

65.

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.

66.

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.

67.

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.

68.

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(7):693-708.

69.

Troels Schwarz-Linnet and Kaare Teilum. (2016) Non-uniform sampling of NMR relaxation data Journal of Biomolecular N M R 64(2):165-173.

70.

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(33):8313-8320.

71.

Yong Wang, Elena Papaleo and Kresten Lindorff-Larsen. (2016) Mapping transiently formed and sparsely populated conformations on a complex energy landscape eLife 5(24):4424-4451.

2015

72.

Simon Erlendsson and Kenneth Lindegaard Madsen. (2015) Membrane Binding and Modulation of the PDZ Domain of PICK1 Membranes 5(4):597-615.

73.

Morten L. Karlsen, Thor S. Thorsen, Niklaus Johner, Ina Ammendrup-Johnsen, Simon Erlendsson, Xinsheng Tian, Jens B. Simonsen, Rasmus Hoiberg-Nielsen, Nikolaj M. Christensen, George Khelashvili, Werner Streicher, Kaare Teilum, Bente Vestergaard, Harel Weinstein, Ulrik Gether, Lise Arleth and Kenneth L. Madsen. (2015) Structure of dimeric and tetrameric complexes of the BAR domain protein PICK1 determined by small-angle X-Ray scattering Structure 23(7):1258-1270.

74.

Charlotte O'Shea, Mikael Kryger Jensen, Emil G.P. Stender, Birthe Brandt Kragelund, Martin Willemoës and Karen Skriver. (2015) Protein intrinsic disorder in Arabidopsis NAC transcription factors Biochemical Journal 465(2):281-294.

75.

Chi Zhang, Ibtissem Cherifi, Mads Nygaard, Gitte Wolfsberg Haxholm, Roman L. Bogorad, Marie Bernadet, Patrick England, Isabelle Broutin, Birthe Brandt Kragelund, Jacques-Emmanuel Guidotti and Vincent Goffin. (2015) Residue 146 regulates prolactin receptor folding, basal activity and ligand-responsiveness Molecular and Cellular Endocrinology 401(3):173-188.

76.

Chi Zhang, Mads Nygaard, Gitte Wolfsberg Haxholm, Florence Boutillon, Marie Bernadet, Sylviane Hoos, Patrick England, Isabelle Broutin, Birthe Brandt Kragelund and Vincent Goffin. (2015) A residue quartet in the extracellular domain of the prolactin receptor selectively controls mitogen-activated protein kinase signaling Journal of Biological Chemistry 290(19):11890-11904.

77.

Fernando Martin-García, Elena Papaleo, Paulino Gomez-Puertas, Wouter Krogh Boomsma and Kresten Lindorff-Larsen. (2015) Comparing molecular dynamics force fields in the essential subspace PLoS ONE 10(3):6506-6516.

78.

Gitte Wolfsberg Haxholm, Louise Fletcher Nikolajsen, Johan Gotthardt Olsen, Jacob Fredsted, Flemming Hofmann Larsen, Vincent Goffin, Stine Helene Falsig Pedersen, Andrew J Brooks, Michael J Waters and Birthe Brandt Kragelund. (2015) Intrinsically disordered cytoplasmic domains of two cytokine receptors mediate conserved interactions with membranes Biochemical Journal 468(3):495-506.

79.

Irina Nikolaeva Marinova, Jacob Engelbrecht, Adrian Ewald, Lasse L. Langholm, Christian Henrik Holmberg, Birthe Brandt Kragelund, Colin Gordon, Olaf Nielsen and Rasmus Hartmann-Petersen. (2015) Single site suppressors of a fission yeast temperature-sensitive mutant in cdc48 identified by whole genome sequencing P L o S One 10(2):1905-1918.

80.

Jeppe Trudslev Pedersen, Christian Bernsen Borg, Thomas C. T. Michaels, Tuomas P. J. Knowles, Peter Faller, Kaare Teilum and Lars Bo Stegeager Hemmingsen. (2015) Aggregation prone amyloid-ß·CuII Species formed on the millisecond timescale at mildly acidic conditions ChemBioChem 16(9):1293-1297.

81.

Katrine Østergaard Bugge, Helena Steinocher, Andrew J. Brooks, Kresten Lindorff-Larsen and Birthe Brandt Kragelund. (2015) Exploiting hydrophobicity for efficient production of transmembrane helices for structure determination by NMR spectroscopy Analytical Chemistry 87(18):9126–9131.

82.

Kaare Teilum, Johan Gotthardt Olsen and Birthe Brandt Kragelund. (2015) Globular and disordered-the non-identical twins in protein-protein interactions Frontiers in Bioscience 2(7):1258-1270.

83.

Leila Malik, Jesper Nygård, Niels Johan Christensen, Charlotte Stahl Madsen, Heike Ilona Rösner, Birthe Brandt Kragelund, Rasmus Høiberg-Nielsen, Werner Streicher, Lise Arleth, Peter Waaben Thulstrup and Knud Jørgen Jensen. (2015) A de novo designed monomeric, compact three helix bundle protein on a carbohydrate template ChemBioChem 16(13):1905-1918.

84.

Lorenzo Sborgi, Abhinav Verma, Stefano Piana, Kresten Lindorff-Larsen, Michele Cerminara, Clara M. Santiveri, David E. Shaw, Eva De Alba and Victor Muñoz. (2015) Interaction networks in protein folding via atomic-resolution experiments and long-time-scale molecular dynamics simulations Journal of the American Chemical Society 137(20):6506-6516.

85.

Matteo Tiberti, Elena Papaleo, Tone Bengtsen, Wouter Krogh Boomsma and Kresten Lindorff-Larsen. (2015) ENCORE PloS Computational Biology 11(10):22–25.

86.

Mohsin M Naqvi, Pétur Orri Heiðarsson, Mariela R Otazo, Alessandro Mossa, Birthe Brandt Kragelund and Ciro Cecconi. (2015) Single-molecule folding mechanisms of the apo- and Mg2+-bound states of human neuronal calcium sensor-1 Biophysical Journal 109(1):113-123.

87.

Pengfei Tian, Wouter Krogh Boomsma, Yong Wang, Daniel Otzen, Mogens Høgh Jensen and Kresten Lindorff-Larsen. (2015) Structure of a functional amyloid protein subunit computed using sequence variation Journal of the American Chemical Society 137(1):22–25.

88.

Simon Erlendsson, Lise Arleth and Kenneth Lindegaard Madsen. (2015) Response to the challenges of Polydisperse SAXS data analysis Structure 23(11):1969-1970.

89.

Søs Grønbæk Mathiassen, Ida B. Larsen, Esben Guldahl Poulsen, Christian Toft Madsen, Elena Papaleo, Kresten Lindorff-Larsen, Birthe Brandt Kragelund, Michael Lund Nielsen, Franziska Kriegenburg and Rasmus Hartmann-Petersen. (2015) A two-step protein quality control pathway for a misfolded DJ-1 variant in fission yeast The Journal of Biological Chemistry 290(34):21141-21153.

90.

Yang Guo, Birthe Brandt Kragelund, Malcolm F. White and Xu Peng. (2015) Functional characterization of a conserved archaeal viral operon revealing single-stranded DNA binding, annealing and nuclease activities Journal of Molecular Biology 427(12):2179-2191.

2014

91.

Elena Papaleo, Ludovico Sutto, Francesco Luigi Gervasio and Kresten Lindorff-Larsen. (2014) Conformational changes and free energies in a Proline isomerase Journal of Chemical Theory and Computation 10(9):4169-4174.

92.

Gaetano Invernizzi, Matteo Tiberti, Matteo Lambrughi, Kresten Lindorff-Larsen and Elena Papaleo. (2014) Communication routes in ARID domains between distal residues in Helix 5 and the DNA-binding loops P L o S Computational Biology (Online) 10(9):4169-4174.

93.

Jeppe Trudslev Pedersen, Christian B. Borg, Kaare Teilum and Lars Bo Stegeager Hemmingsen. (2014) pH dependence of amyloid-ß-Cu(II) binding and oligomerization kinetics Journal of Biological Inorganic Chemistry 19:S755.

94.

Johan Gotthardt Olsen and Birthe Brandt Kragelund. (2014) Who climbs the tryptophan ladder? On the structure and function of the WSXWS motif in cytokine receptors and thrombospondin repeats Cytokine & Growth Factor Reviews 25(3):337-341.

95.

Konstantinos Paraskevopoulos, Franziska Kriegenburg, Michael H. Tatham, Heike Ilona Rösner, Bethan Medina, Ida B. Larsen, Rikke Brandstrup, Kevin G. Hardwick, Ronald T. Hay, Birthe Brandt Kragelund, Rasmus Hartmann-Petersen and Colin Gordon. (2014) Dss1 is a 26S proteasome ubiquitin receptor Molecular Cell 56(3):453-461.

96.

Kristine Steen Jensen, Jeppe Trudslev Pedersen, Jakob R. Winther and Kaare Teilum. (2014) The pKa value and accessibility of cysteine residues are key determinants for protein substrate discrimination by glutaredoxin Biochemistry 53(15):2533-2540.

97.

Pengfei Tian, Sigurður Ægir Jónsson, Jesper Ferkinghoff-Borg, Sergei V . Krivov, Kresten Lindorff-Larsen, Anders Irbäck and Wouter Krogh Boomsma. (2014) Robust estimation of diffusion-optimized ensembles for enhanced sampling Journal of Chemical Theory and Computation 10(2):543–553.

98.

Pétur Orri Heiðarsson, Mohsin M. Naqvi, Mariela R. Otazo, Alessandro Mossa, Birthe Brandt Kragelund and Ciro Cecconi. (2014) Direct single-molecule observation of calcium-dependent misfolding in human neuronal calcium sensor-1 Proceedings of the National Academy of Sciences U.S.A. 111(36):13069-13074.

99.

Rasmus Vejrup-Hansen, Oliver Fleck, Katrine Landvad, Ulrik Fahnøe, Sebastian S. Broendum, Ann-Sofie Schreurs, Birthe Brandt Kragelund, Antony M. Carr, Christian Henrik Holmberg and Olaf Nielsen. (2014) Spd2 assists Spd1 in the modulation of ribonucleotide reductase architecture but does not regulate deoxynucleotide pools Journal of Cell Science 127(3):2460-2470.

100.

Ruth Hendus-Altenburger, Birthe Brandt Kragelund and Stine Helene Falsig Pedersen. (2014) Structural dynamics and regulation of the mammalian SLC9A family of Na+/H+ exchangers Current Topics in Membranes 56(3):453-461.

101.

Sebastien Morin, Troels Emtekær Linnet, Mathilde Lescanne, Paul Schanda, Gary S. Thompson, Martin Tollinger, Kaare Teilum, Stephane Gagne, Dominique Marion, Christian Griesinger, Martin Blackledge and Edward J. d’Auvergne. (2014) relax: the analysis of biomolecular kinetics and thermodynamics using NMR relaxation dispersion data Bioinformatics 30(15):2219-2220.

102.

Simon Erlendsson, Mette Rathje, Pétur Orri Heiðarsson, Flemming Martin Poulsen, Kenneth Lindegaard Madsen, Kaare Teilum and Ulrik Gether. (2014) Protein interacting with C-kinase 1 (PICK1) binding promiscuity relies on unconventional PSD-95/Discs-Large/ZO-1 homology (PDZ) binding modes for nonclass II PDZ ligands Journal of Biological Chemistry 289(36):25327-25340.

103.

Simon Olsson, Beat Rolf Vögeli, Andrea Cavalli, Wouter Krogh Boomsma, Jesper Ferkinghoff-Borg, Kresten Lindorff-Larsen and Thomas Wim Hamelryck. (2014) Probabilistic determination of native state ensembles of proteins Journal of Chemical Theory and Computation 10(8):3484-3491.

104.

Ulrich Weininger, Ulrika Brath, Kristofer Modig, Kaare Teilum and Mikael Akke. (2014) Off-resonance rotating-frame relaxation dispersion experiment for 13C in aromatic side chains using L-optimized TROSY-selection Journal of Biomolecular NMR 59(1):23-29.

105.

Valéry Ozenne, Jeffrey K. Noel, Pétur Orri Heiðarsson, Søren Brander, Flemming Martin Poulsen, Malene Ringkjøbing Jensen, Birthe Brandt Kragelund, Martin Blackledge and Jens Albert Danielsson. (2014) Exploring the minimally frustrated energy landscape of unfolded ACBP Journal of Molecular Biology 426(3):722-734.

106.

Vytautas Iesmantavicius, Jakob Dogan, Per Jemth, Kaare Teilum and Magnus Kjærgaard. (2014) Helical propensity in an intrinsically disordered protein accelerates ligand binding Angewandte Chemie (International ed. in English) 53(6):1548-1551.

107.

Wouter Krogh Boomsma, Jesper Ferkinghoff-Borg and Kresten Lindorff-Larsen. (2014) Combining experiments and simulations using the maximum entropy principle PloS Computational Biology 10(2):543–553.

108.

Wouter Krogh Boomsma, Pengfei Tian, Jes Frellsen, Jesper Ferkinghoff-Borg, Thomas Wim Hamelryck, Kresten Lindorff-Larsen and Michele Vendruscolo. (2014) Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts Proceedings of the National Academy of Sciences of the United States of America 111(38):13852-13857.

2013

109.

Anders Steen Christensen, Troels Emtekær Linnet, Mikael Borg, Wouter Krogh Boomsma, Kresten Lindorff-Larsen, Thomas Wim Hamelryck and Jan Halborg Jensen. (2013) Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics PLoS ONE 8(12):4169-4174.

110.

Chandra Kenchappa, Pétur Orri Heiðarsson, Birthe Kragelund, Roger Garrett and Flemming Poulsen. (2013) Solution properties of the archaeal CRISPR DNA repeat-binding homeodomain protein Cbp2 Nucleic Acids Research 41(5):3424-3435.

111.

Lea Ellegaard-Jensen, Jens Aamand, Birthe Brandt Kragelund, A.H. Johnsen and Søren Rosendahl. (2013) Strains of the soil fungus Mortierella show different degradation potentials for the phenylurea herbicide diuron Biodegradation 24(6):765-774.

112.

Magnus Kjaergaard, Lisbeth Andersen, Lau Dalby Nielsen and Kaare Teilum. (2013) A Folded Excited State of Ligand-Free Nuclear Coactivator Binding Domain (NCBD) Underlies Plasticity in Ligand Recognition. Biochemistry 52(10):1686-1693.

113.

Pétur Orri Heiðarsson, Mariela R. Otazo, Luca Bellucci, Alessandro Mossa, Alberto Imparato, Emanuele Paci, Stefano Corni, Rosa Di Felice, Birthe Brandt Kragelund and Ciro Cecconi. (2013) Single-molecule folding mechanism of an EF-hand neuronal calcium sensor Structure 21(10):1812-1821.

114.

Predrag Kukic, Damien Farrell, Lawrence P. McIntosh, Bertrand García-Moreno E., Kristine Steen Jensen, Zigmantas Toleikis, Kaare Teilum and Jens Erik Nielsen. (2013) Protein dielectric constants determined from NMR chemical shift perturbations Journal of the American Chemical Society 135(45):16968–16976.

115.

Robert Dagil, Charlotte O'Shea, Anders Nykjær, Alexandre M J J Bonvin and Birthe B Kragelund. (2013) Gentamicin binds to the megalin receptor as a competitive inhibitor using the common ligand binding motif of complement type repeats The Journal of Biological Chemistry 288(6):4424-35.

116.

Sandro Bottaro, Kresten Lindorff-Larsen and Robert B. Best. (2013) Variational optimization of an all-atom implicit solvent force field to match explicit solvent simulation data Journal of Chemical Theory and Computation 9(12):5641-5652.

117.

Stefano Piana, Kresten Lindorff-Larsen and David E. Shaw. (2013) Atomistic description of the folding of a dimeric protein Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical 117(42):12935-12942.

118.

Wouter Krogh Boomsma, Jes Frellsen, Tim Philipp Harder, Sandro Bottaro, Kristoffer Enøe Johansson, Pengfei Tian, Kasper Stovgaard, Christian Andreetta, Simon Olsson, Jan Valentin, Lubomir Dimitrov Antonov, Anders Steen Christensen, Mikael Borg, Jan Halborg Jensen, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg and Thomas Wim Hamelryck. (2013) PHAISTOS Journal of Computational Chemistry 34(19):1697-1705.

2012

119.

Anneli Edström Hägerwall, Victoria Rydengård, Per Fernlund, Matthias Mörgelin, Maria Baumgarten, Alexander M. Cole, Martin Malmsten, Birthe Kragelund and Ole E. Sørensen. (2012) ß-Microseminoprotein endows post coital seminal plasma with potent candidacidal activity by a calcium- and pH-dependent mechanism. P L o S Pathogens 8(4):1-12.

120.

Birthe Brandt Kragelund, Michael Krogh Jensen and Karen Skriver. (2012) Order by disorder in plant signaling Trends in Plant Science 17(11):625-632.

121.

Elena Papaleo, Kresten Lindorff-Larsen and Luca De Gioia. (2012) Paths of long-range communication in the E2 enzymes of family 3 Physical Chemistry Chemical Physics 14(44):12515-12525.

122.

Heike Rösner and Birthe Kragelund. (2012) Structure and Dynamic Properties of Membrane Proteins using NMR Comprehensive Physiology 2(2):1491-1539.

123.

Kresten Lindorff-Larsen, Nikola Trbovic, Paul Maragakis, Stefano Piana and David E Shaw. (2012) Structure and dynamics of an unfolded protein examined by molecular dynamics simulation Journal of the American Chemical Society 134(8):3787-3791.

124.

Kresten Lindorff-Larsen, Paul Maragakis, Stefano Piana, Michael P Eastwood, Ron O Dror and David E Shaw. (2012) Systematic validation of protein force fields against experimental data P L o S One 7(2):5641-5652.

125.

Lea Cecilie Christensen, Njal Winther Jensen, Andrea Lages Lino Vala, Jurate Kamarauskaite, Linda Christina Johansson, Jakob R. Winther, Kay Hofmann, Kaare Teilum and Lars Ellgaard. (2012) The human selenoprotein VCP-interacting membrane protein (VIMP) is non-globular and harbors a reductase function in an intrinsically disordered region Journal of Biological Chemistry 287(31):26388-26399.

126.

Magnus Kjærgaard, Flemming Martin Poulsen and Birthe Brandt Kragelund. (2012) Temperature-induced transitions in disordered proteins probed by NMR spectroscopy Intrinsically disordered protein analysis 2(2):1491-1539.

127.

Magnus Kjærgaard, Flemming Martin Poulsen and Birthe Brandt Kragelund. (2012) Analyzing temperature-induced transitions in disordered proteins by NMR spectroscopy and secondary chemical shift analyses Intrinsically disordered protein analysis 2(2):1491-1539.

128.

Magnus Kjærgaard, Flemming Martin Poulsen and Kaare Teilum. (2012) Is a malleable protein necessarily highly dynamic? Biophysical Journal 102(7):1627-1635.

129.

Pétur Orri Heiðarsson, Ida Jannike Bjerrum-Bohr, Gitte A. Jensen, Olaf Pongs, Bryan E. Finn, Flemming Martin Poulsen and Birthe Brandt Kragelund. (2012) The C-terminal tail of human neuronal calcium sensor 1 regulates the conformational stability of the Ca2+-activated state Journal of Molecular Biology 417:51-64.

130.

Pétur Orri Heiðarsson, Immanuel Valpapuram, Carlo Camilloni, Alberto Imparato, Guido Tiana, Flemming Martin Poulsen, Birthe Brandt Kragelund and Ciro Cecconi. (2012) A highly compliant protein native state with a spontaneous-like mechanical unfolding pathway Journal of the American Chemical Society 134(41):17068-17075.

131.

Robert Dagil, Maiken J. Knudsen, Johan Gotthardt Olsen, Charlotte O'Shea, Magnus Franzmann, Vincent Goffin, Kaare Teilum, Jens Breinholt and Birthe Brandt Kragelund. (2012) The WSXWS motif in cytokine receptors is a molecular switch involved in receptor activation Structure 20(2):270-282.

132.

Stefano Piana, Kresten Lindorff-Larsen and David E. Shaw. (2012) Protein folding kinetics and thermodynamics from atomistic simulation Proceedings of the National Academy of Sciences of the United States of America 109(44):17845-17850.

133.

Stefano Piana, Kresten Lindorff-Larsen, Robert M Dirks, John K Salmon, Ron O Dror and David E Shaw. (2012) Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations P L o S One 7(6):3787-3791.

2011

134.

Stefano Piana, Krishnarjun Sarkar, Kresten Lindorff-Larsen, Minghao Guo, Martin Gruebele and David E Shaw. (2011) Computational design and experimental testing of the fastest-folding ß-sheet protein Journal of Molecular Biology 405(1):43-48.

135.

Ann-Beth Nørholm, Ruth Hendus-Altenburger, Gabriel Bjerre, Magnus Kjærgaard, Stine Helene Falsig Pedersen and Birthe B Kragelund. (2011) The Intracellular Distal Tail of the Na+/H+ Exchanger NHE1 Is Intrinsically Disordered Biochemistry 50(17):3469-80.

136.

Helen Webb, Barbara Mary Tynan-Connolly, Gregory M Lee, Damien Farrell, Fergal O'Meara, Chresten R Søndergaard, Kaare Teilum, Chandralal Hewage, Lawrence P McIntosh and Jens Erik Nielsen. (2011) Remeasuring HEWL pKa values by NMR spectroscopy  Proteins: Structure, Function, and Bioinformatics 79(3):685-702.

137.

Jeppe Trudslev Pedersen, Kaare Teilum, Niels H. H. Heegaard, Jesper Østergaard, Hans-Werner Adolph and Lars Bo Stegeager Hemmingsen. (2011) Rapid formation of a preoligomeric peptide-metal-peptide complex following copper(II) binding to amyloid ß peptides Angewandte Chemie International Edition 50(11):2532-2535.

138.

Kresten Lindorff-Larsen, Stefano Piana, Ron O Dror and David E Shaw. (2011) How fast-folding proteins fold Science (New York, N.Y.) 334(6055):517-20.

139.

Kristine Steen Jensen, Jakob R Winther and Kaare Teilum. (2011) Millisecond dynamics in glutaredoxin during catalytic turnover is dependent on substrate binding and absent in the resting states Journal of the American Chemical Society 133(9):3034-42.

140.

Kaare Teilum, Johan G Olsen and Birthe B Kragelund. (2011) Protein stability, flexibility and function B B A - Proteins and Proteomics 1814(8):969-76.

141.

Louise Meinert Niclasen, Johan G Olsen, Robert Dagil, Zhang Qing, Ole E Sørensen and Birthe B Kragelund. (2011) Streptococcal pyogenic exotoxin B (SpeB) boosts the contact system via binding of a-1 antitrypsin Biochemical Journal 434(1):123-32.

142.

Mathilde Johanne Kaas Hansen, Johan Gotthardt Olsen, Sophie Bernichtein, Charlotte O'Shea, Bent Walther Sigurskjold, Vincent Goffin and Birthe Brandt Kragelund. (2011) Development of prolactin receptor antagonists with reduced pH-dependence of receptor binding. Journal of Molecular Recognition 24(4):533-547.

143.

Stefano Piana, Kresten Lindorff-Larsen and David E Shaw. (2011) How robust are protein folding simulations with respect to force field parameterization? Biophysical Journal (2011) 100(9):L47-L49.

144.

Trine Kjaersgaard, Michael K Jensen, Michael W Christiansen, Per L. Gregersen, Birthe B Kragelund and Karen Skriver. (2011) Senescence-associated barley NAC (NAM, ATAF1,2, CUC) transcription factor interacts with radical-induced cell death 1 through a disordered regulatory domain Journal of Biological Chemistry 286(41):35418-29.

2010

145.

Magnus Kjærgaard, Ann-Beth Nørholm, Ruth Hendus-Altenburger, Stine Helene Falsig Pedersen, Flemming M Poulsen and Birthe B Kragelund. (2010) Temperature-dependent structural changes in intrinsically disordered proteins: formation of alpha-helices or loss of polyproline II? Protein Science 19(8):1555-64.

146.

Konstantinos Nestoras, Asma Hadi Mohammed, Ann-Sofie Schreurs, Oliver Fleck, Adam T Watson, Marius Poitelea, Charlotte O'Shea, Charly Chahwan, Christian Holmberg, Birthe B Kragelund, Olaf Nielsen, Mark Osborne, Antony M Carr and Cong Liu. (2010) Regulation of ribonucleotide reductase by Spd1 involves multiple mechanisms Genes & Development 24(11):1145-1159.

147.

Kresten Lindorff-Larsen, Stefano Piana, Kim Palmo, Paul Maragakis, John L Klepeis, Ron O Dror and David E Shaw. (2010) Improved side-chain torsion potentials for the Amber ff99SB protein force field Proteins: Structure, Function, and Bioinformatics 78(8):1950-8.

148.

David E Shaw, Paul Maragakis, Kresten Lindorff-Larsen, Stefano Piana, Ron O Dror, Michael P Eastwood, Joseph A Bank, John M Jumper, John K Salmon, Yibing Shan and Willy Wriggers. (2010) Atomic-level characterization of the structural dynamics of proteins Science (New York, N.Y.) 330(6002):341-6.

149.

Isabelle Broutin, Jean-Baptiste Jomain, Estelle Tallet, Jan Van Agthoven, Bertand Raynal, Sylviane Hoos, Birthe Brandt Kragelund, Paul Kelly, Alexandre Ducroix, Patrick England and Vincent Goffin. (2010) Crystal structure of an affinity-matured prolactin complexed to its dimerized receptor reveals the topology of hormone binding site 2. Journal of Biological Chemistry 285(11):8422-8433.

150.

Magnus Kjærgaard, Kaare Teilum and Flemming M Poulsen. (2010) Conformational selection in the molten globule state of the nuclear coactivator binding domain of CBP Proceedings of the National Academy of Science of the United States of America 107(28):12535-40.

151.

Morten Ø Jensen, David W Borhani, Kresten Lindorff-Larsen, Paul Maragakis, Vishwanath Jogini, Michael P Eastwood, Ron O Dror and David E Shaw. (2010) Principles of conduction and hydrophobic gating in K+ channels Proceedings of the National Academy of Sciences of the United States of America 107(13):5833-8.

2009

152.

Willy Wriggers, Kate A. Stafford, Yibing Shan, Stefano Piana, Paul Maragakis, Kresten Lindorff-Larsen, Patrick J. Miller, Justin Gullingsrud, Charles A. Rendleman, Michael P. Eastwood, Ron O. Dror and David E. Shaw. (2009) Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations Journal of Chemical Theory and Computation 5(10):2595-2605.

153.

David E. Shaw, Ron O. Dror, John K. Salmon, J. P. Grossman, Kenneth M. Mackenzie, Joseph A. Bank, Cliff Young, Martin M. Deneroff, Brannon Batson, Kevin J. Bowers, Edmond Chow, Michael P. Eastwood, Doug Ierardi, John L. Klepeis, Jeffrey Kuskin, Richard H. Larson, Kresten Lindorff-Larsen, Paul Maragakis, Mark A. Moraes, Stefano Piana, Yibing Shan and Brian Towles. (2009) Millisecond-scale molecular dynamics simulations on Anton Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis 5(10):2595-2605.

154.

Johan G Olsen, Robert Dagil, Louise Meinert Niclasen, Ole E Sørensen and Birthe B Kragelund. (2009) Structure of the Mature Streptococcal Cysteine Protease Exotoxin mSpeB in Its Active Dimeric Form Journal of Molecular Biology 393(3):693-703.

155.

John L Klepeis, Kresten Lindorff-Larsen, Ron O Dror and David E Shaw. (2009) Long-timescale molecular dynamics simulations of protein structure and function Current Opinion in Structural Biology 19(2):120-7.

156.

Kresten Lindorff-Larsen and Jesper Ferkinghoff-Borg. (2009) Similarity measures for protein ensembles PLoS ONE 4(1):2595-2605.

157.

Kaare Teilum, Johan G Olsen and Birthe B Kragelund. (2009) Functional aspects of protein flexibility Cellular and Molecular Life Sciences 66(14):2231-47.

158.

Kaare Teilum, Melanie H Smith, Eike Schulz, Lea C Christensen, Gleb Solomentsev, Mikael Oliveberg and Mikael Akke. (2009) Transient structural distortion of metal-free Cu/Zn superoxide dismutase triggers aberrant oligomerization Proceedings of the National Academy of Science of the United States of America 106(43):18273-8.

2008

159.

Anders B. Nørgaard, Jesper Ferkinghoff-Borg and Kresten Lindorff-Larsen. (2008) Experimental parameterization of an energy function for the simulation of unfolded proteins Biophysical Journal 94(1):182-192.

160.

Jais R Bjelke, Ole H Olsen, Michel Fodje, L Anders Svensson, Susanne Bang, Gert Bolt, Birthe B Kragelund and Egon Persson. (2008) Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity Journal of Biological Chemistry 283(38):25863-70.

161.

Jens Danielsson, Leena Liljedahl, Elsa Ba´ra´ny-Wallje, Pernille Sønderby, Line Hyltoft Kristensen, Maria A Martinez-Yamout, H Jane Dyson, Peter E Wright, Flemming M Poulsen, Lena Ma¨ler, Astrid Gra¨slund and Birthe B Kragelund. (2008) The intrinsically disordered RNR inhibitor Sml1 is a dynamic dimer Biochemistry 47(50):13428-13437.

162.

Jesper S Hansen, Nils J Færgeman, Birthe B Kragelund and Jens Knudsen. (2008) Acyl-CoA-binding protein (ACBP) localizes to the endoplasmic reticulum and Golgi in a ligand-dependent manner in mammalian cells. Biochemical Journal 410(3):463-472.

163.

Line Hyltoft Kristensen, Peter E. Nielsen, Christian Isak Jørgensen, Birthe B Kragelund and Niels Erik Møllegaard. (2008) Phosphate Selective Uranyl Photo-Affinity Cleavage of Proteins. Determination of Phosphorylation Sites. ChemBioChem 9(15):2377-81.

164.

Paul Maragakis, Kresten Lindorff-Larsen, Michael P Eastwood, Ron O Dror, John L Klepeis, Isaiah T Arkin, Morten Ø Jensen, Huafeng Xu, Nikola Trbovic, Richard A Friesner, Arthur G Palmer Iii and David E Shaw. (2008) Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical 112(19):6155-6158.

2007

165.

Caspar Elo Christensen, Birthe Brandt Kragelund, Penny Von Wettstein-Knowles and Anette Henriksen. (2007) Structure of the human beta-ketoacyl [ACP] synthase from the mitochondrial type II fatty acid synthase Protein Science 16(2):261-272.

166.

Caspar Elo Christensen, Birthe B Kragelund, Penny von Wettstein-Knowles and Anette Henriksen. (2007) Structure of the human beta-ketoacyl [ACP] synthase from the mitochondrial type II fatty acid synthase. Protein Science 16(2):261-72.

167.

Christian D Geierhaas, Adrian A Nickson, Kresten Lindorff-Larsen, Jane Clarke and Michele Vendruscolo. (2007) BPPred Protein Science 16(1):125-34.

168.

Jean-Baptiste Jomain, Estelle Tallet, Isabelle Broutin, Sylviane Hoos, Jan van Agthoven, Arnaud Ducruix, Paul A Kelly, Birthe B Kragelund, Patrick England and Vincent Goffin. (2007) Structural and thermodynamic bases for the design of pure prolactin receptor antagonists: X-ray structure of Del1-9-G129R-hPRL. Journal of Biological Chemistry 282(45):33118-31.

169.

Katrine S Larsen, Henrik Østergaard, Jais R Bjelke, Ole H Olsen, Hanne B Rasmussen, Leif Christensen, Birthe B Kragelund and Henning R Stennicke. (2007) Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa. Biochemical Journal 405(3):429-38.

170.

Kristofer Modig, Vibeke W. Jürgensen, Kresten Lindorff-Larsen, Wolfgang Fieber, Henrik G Bohr and Flemming Martin Poulsen. (2007) Detection of initiation sites in protein folding of the four helix bundle ACBP by chemical shift analysis. FEBS Letters 581(25):4965-4971.

171.

Patrik Lundström, Kaare Teilum, Tommy Carstensen, Irina Bezsonova, Silke Wiesner, D Flemming Hansen, Tomasz L Religa, Mikael Akke and Lewis E Kay. (2007) Fractional 13C enrichment of isolated carbons using [1-13C]- or [2- 13C]-glucose facilitates the accurate measurement of dynamics at backbone Calpha and side-chain methyl positions in proteins Journal of Biomolecular NMR 38(3):199-212.

172.

Sandra Lerche Søndergaard, Niels Frimodt-Møller, Birthe Brandt Kragelund and Paul Robert Hansen. (2007) Structure-activity study of the antibacterial peptide fallaxin Protein Science 16(9):1969-1976.

2006

173.

C. J. Francis, Kresten Lindorff-Larsen, R. B. Best and M. Bendruscolo. (2006) Characterization of the residual structure in the unfolded state of the Delta 131 Delta fragment of staphylococcal nuclease Proteins - Structure Function and Bioinformatics 65(1):145-52.

174.

Gitte A Jensen, Olav M Andersen, Alexandre M J J Bonvin, Ida Bjerrum-Bohr, Michael Etzerodt, Hans C Thøgersen, Charlotte O'Shea, Flemming M Poulsen and Birthe B Kragelund. (2006) Binding site structure of one LRP-RAP complex: implications for a common ligand-receptor binding motif. Journal of Molecular Biology 362(4):700-16.

175.

Houman Ghasriani, Kaare Teilum, Ylva Johnsson, Per Fernlund and Torbjörn Drakenberg. (2006) Solution structures of human and porcine beta-microseminoprotein Journal of Molecular Biology 362(3):502-15.

176.

Jais R Bjelke, Egon Persson, Hanne B Rasmussen, Birthe B Kragelund and Ole H Olsen. (2006) A loop of coagulation factor VIIa influencing macromolecular substrate specificity. FEBS Letters 581(1):71-6.

177.

Kaare Teilum, Flemming M Poulsen and Mikael Akke. (2006) The inverted chevron plot measured by NMR relaxation reveals a native-like unfolding intermediate in acyl-CoA binding protein Proceedings of the National Academy of Science of the United States of America 103(18):6877-82.

178.

Kaare Teilum, Ulrika Brath, Patrik Lundström and Mikael Akke. (2006) Biosynthetic 13C labeling of aromatic side chains in proteins for NMR relaxation measurements Journal of the American Chemical Society 128(8):2506-7.

179.

M. Louhivuori, R. Otten, Kresten Lindorff-Larsen and A. Annila. (2006) Conformational fluctuations affect protein alignment in dilute liquid crystal media. Journal of the American Chemical Society 128(13):4371-4376.

180.

R. B. Best, Kresten Lindorff-Larsen, M. A. DePristo and M. VEndruscolo. (2006) Relation between native ensembles and experimental structures of proteins. Proceedings of the National Academy of Science of the United States of America 103(29):10901-6.

181.

Vidya Chandran, Elliott J Stollar, Kresten Lindorff-Larsen, Jeffrey F Harper, Walter J Chazin, Christopher M Dobson, Ben F Luisi and John Christodoulou. (2006) Structure of the regulatory apparatus of a calcium-dependent protein kinase (CDPK) Journal of Molecular Biology 357(2):400-10.

2005

182.

Emanuele Paci, K. Lindorff-Larsen, Christopher M. Dobson, Martin Karplus and Michele Vendruscolo. (2005) Transition State Contact Orders Correlate with Protein Folding Rates Journal of Molecular Biology 352(3):495-500.

183.

Karen L. Maxwell, D. Wildes, A. Zarrine-Afsar, Miguel A. De Los Rios Rivos, Andrew G. Brown, Claire T. Friel, Linda Hedberg, Jia-Cherng Horng, Diana Bona, Erik J. Miller, Alexis Vallée-Bélisle, Ewan R. G. Main, Francesco Bemporad, Linlin Qiu, Kaare Teilum, Ngoc-Diep Vu, Aled M. Edwards, Ingo Ruczinski, Flemming M. Poulsen, Birthe Brandt Kragelund, Stephen W. Michnick, Fabrizio Chiti, Yawen Bai, Stephen J. Hagen, Luis Serrano, Mikael Oliveberg, Daniel P. Raleigh, Pernilla Wittung Stafshede, Sheena E. Radford, Sophie e. Jackson, Tobin R. Sosnick, Susan Margusee, Alan R. Davidson and Kevin W. Plaxco. (2005) Protein folding: Defining a standard set of experimental conditions and a preliminary kinetic data set of two-state proteins Protein Science 14(3):602-616.

184.

Kresten Lindorff-Larsen, Robert B. Best and Michele Vendruscolo. (2005) Interpreting Dynamically-Averaged Scalar Couplings in Proteins Journal of Biomolecular NMR 32(4):273-280.

185.

Kresten Lindorff-Larsen, Robert B. Best, M. A. DePristo, C. M. Dobson and Michele Vendruscolo. (2005) Simultaneous determination of protein structure and dynamics Nature 433(7022):128-132.

186.

Kaare Teilum, Birthe Brandt Kragelund and Flemming Martin Poulsen. (2005) Application of Hydrogen Exchange Kinetics to Studies of Protein Folding Protein Folding Handbook 103(18):6877-82.

187.

Kaare Teilum, Jeffrey C Hoch, Vincent Goffin, Sandrina Kinet, Joseph A Martial and Birthe B Kragelund. (2005) Solution structure of human prolactin Journal of Molecular Biology 351(4):810-23.

188.

Kaare Teilum, Thorsten Thormann, Nigel R. Caterer, Heidi I. Poulsen, Peter H. Jensen, Jens Knudsen, Birthe Brandt Kragelund and Flemming M. Poulsen. (2005) Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles Proteins - Structure Function and Bioinformatics 59(1):80-90.

189.

M. M. Dedmon, K. Lindorff-Larsen, J. Christodoulou, Michele Vendruscolo and C. M. Dobson. (2005) Mapping Long-Range Interactions in a-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations Journal of the American Chemical Society 127(2):476-477.

190.

S. Rønhede, Bo Jensen, Søren Rosendahl, Birthe Brandt Kragelund, Rene K. Juhler and J. Aamand. (2005) Hydroxylation of the Herbicide Isoproturon by Fungi Isolated from Agricultural soil Applied and Environmental Microbiology 71(12):7927-7932.

191.

Wolfgang Fieber, Birthe Brandt Kragelund, Morten Peter Meldal and Flemming M. Poulsen. (2005) Reversible Dimerization of Acid-Denatured ACBP Controlled by Helix A4 Biochemistry 44(5):1375-1384.

2004

192.

Emanuele Paci, Claire T Friel, Kresten Lindorff-Larsen, Sheena E Radford, Martin Karplus and Michele Vendruscolo. (2004) Comparison of the transition state ensembles for folding of Im7 and Im9 determined using all-atom molecular dynamics simulations with phi value restraints Proteins: Structure, Function, and Bioinformatics 54(3):513-25.

193.

Kresten Lindorff-Larsen, Michele Vendruscolo, Emanuele Paci and Christopher M Dobson. (2004) Transition states for protein folding have native topologies despite high structural variability Nature Structural and Molecular Biology 11(5):443-9.

194.

Kresten Lindorff-Larsen, Sigridur Kristjansdottir, Kaare Teilum, Wolfgang Fieber, Christopher M Dobson, Flemming Martin Poulsen and Michele Vendruscolo. (2004) Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein Journal of the American Chemical Society 126(10):3291-3219.

195.

Pernille Andersen, Birthe B Kragelund, Addie N Olsen, Flemming H Larsen, Nam-Hai Chua, Flemming M Poulsen and Karen Skriver. (2004) Structure and biochemical function of a prototypical Arabidopsis U-box domain Journal of Biological Chemistry 279(38):40053-40061.

2003

196.

Caroline F Wright, Kresten Lindorff-Larsen, Lucy G Randles and Jane Clarke. (2003) Parallel protein-unfolding pathways revealed and mapped Nature Structural and Molecular Biology 10(8):658-62.

197.

Kresten Lindorff-Larsen, Emanuele Paci, Luis Serrano, Christopher M Dobson and Michele Vendruscolo. (2003) Calculation of mutational free energy changes in transition states for protein folding Biophysical Journal 85(2):1207-14.

2002

198.

Jens K Thomsen, Birthe B Kragelund, Kaare Teilum, Jens Knudsen and Flemming M Poulsen. (2002) Transient intermediary states with high and low folding probabilities in the apparent two-state folding equilibrium of ACBP at low pH Journal of Molecular Biology 318(3):805-14.

199.

Kaare Teilum, Birthe B Kragelund and Flemming M Poulsen. (2002) Transient structure formation in unfolded acyl-coenzyme A-binding protein observed by site-directed spin labelling Journal of Molecular Biology 324(2):349-57.

200.

Kaare Teilum, K. Maki, Birthe Brandt Kragelund, Flemming Martin Poulsen and H. Roder. (2002) Early kinetic intermediate in the folding of acyl-coenzyme A binding protein detected by fluorescence labelling and rapid mixing Proceedings of the National Academy of Sciences U.S.A. 365(99):9807-9812.

201.

Kaare Teilum, Kosuke Maki, Birthe B Kragelund, Flemming M Poulsen and Heinrich Roder. (2002) Early kinetic intermediate in the folding of acyl-CoA binding protein detected by fluorescence labeling and ultrarapid mixing Proceedings of the National Academy of Science of the United States of America 99(15):9807-12.

202.

M.C. Wadum, J.K. Villadsen, S. Feddersen, R.S. Moller, T.B. Neergaard, Birthe Brandt Kragelund, P. Hojrup, N.J. Faergeman and J. Knudsen. (2002) Fluorescently labelled bovine acyl-CoA-binding protein acting as an acyl-CoA sensor: interaction with CoA and acyl-CoA esters and its use in measuring free acyl-CoA esters and non-esterified fatty acids Biochemical Journal 365(15):165-172.

2001

203.

A Henriksen, O Mirza, C Indiani, K Teilum, G Smulevich, K G Welinder and M Gajhede. (2001) Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions Protein Science 10(1):108-15.

204.

Kresten Lindorff-Larsen and J R Winther. (2001) Surprisingly high stability of barley lipid transfer protein, LTP1, towards denaturant, heat and proteases F E B S Letters 488(3):145-8.

205.

Kresten Lindorff-Larsen, Mathilde H. Lerche, Flemming Martin Poulsen, Peter Roepstorff and Jakob R. Winther. (2001) Barley lipid transfer protein, LTP1, contains a new type of lipid-like post-translational modification Journal of Biological Chemistry 276(36):33547-53.

2000

206.

B B Kragelund, A Hauenschild, G Carlström, O Pongs and B E Finn. (2000) 1H, 13C, and 15N assignments of un-myristoylated Ca2+-frequenin, a synaptic efficacy modulator Journal of Biomolecular N M R 16(1):85-6.

207.

K Teilum, B B Kragelund, J Knudsen and F M Poulsen. (2000) Formation of hydrogen bonds precedes the rate-limiting formation of persistent structure in the folding of ACBP Journal of Molecular Biology 301(5):1307-14.

208.

Kresten Lindorff-Larsen and Jakob R. Winther. (2000) Thiol alkylation below neutral pH Analytical Biochemistry 286(2):308-10.

209.

L Ostergaard, K Teilum, O Mirza, O Mattsson, M Petersen, K G Welinder, J Mundy, M Gajhede and A. Henriksen. (2000) Arabidopsis ATP A2 peroxidase. Expression and high-resolution structure of a plant peroxidase with implications for lignification. Plant Molecular Biology 44(2):231-43.

1999

210.

B B Kragelund, J Knudsen and F M Poulsen. (1999) Acyl-coenzyme A binding protein (ACBP) B B A - Reviews on Cancer 1441:150-61.

211.

Birthe Brandt Kragelund, Peter Osmark, Thomas B. Neergaard, Jacob Schiødt, Karsten Kristiansen, Jens Knudsen and Flemming Poulsen. (1999) The formation of a native-like structure containing eight conserved hydrophobic residues is rate limiting in two-state protein folding of ACBP Nature Structural and Molecular Biology 6(6):594-601.

212.

K Teilum, L Ostergaard and K G Welinder. (1999) Disulfide bond formation and folding of plant peroxidases expressed as inclusion body protein in Escherichia coli thioredoxin reductase negative strains Protein Expression and Purification 15(1):77-82.

1998

213.

B B Kragelund, M Jönsson, G Bifulco, W J Chazin, H Nilsson, B E Finn and S Linse. (1998) Hydrophobic core substitutions in calbindin D9k Biochemistry 37(25):8926-37.

214.

Birthe Brandt Kragelund, B. Heinemann, J. Knudsen and Flemming Poulsen. (1998) Mapping the lifetimes of local opening events in a native state protein Protein Sci. 37(7):2237-2248.

215.

Birthe Brandt Kragelund, M. Jönsson, G. Bifulco, W.J. Chazin, H. Nilsson, B.E. Finn and S. Linse. (1998) Hydrophobic core substitutions in calbindin D9k: Effects on Ca2+ binding and dissociation Biochemistry 37(37):8926-8937.

1997

216.

M.H. Lerche, Birthe Brandt Kragelund, L. Bech and Flemming Poulsen. (1997) Structure of lipid-transfer protein complexed with palmitoyl-CoA. A hydrophobic binding site expandable to fit both large and small lipid-like ligands Structure 37(5):291-306.

1996

217.

Birthe Brandt Kragelund, P. Højrup, M.S. Jensen, C.K. Schjerling, E. Juul, J. Knudsen and Flemming Poulsen. (1996) Fast and one-step folding of closely and distantly related homologous proteins of a four-helix bundle family J. Mol. Biol. 37(256):187-200.

218.

C.R. Robinson, E.W. Chung, Birthe Brandt Kragelund, J. Knudsen, R.T. Aplin, Flemming Poulsen and C.M. Dobson. (1996) Probing the nature of non-covalent interactions by mass spectrometry. A study of protein-CoA ligand interactions and assembly J. Amer. Chem. 37(118):8646-8653.

219.

Nils J. Færgeman, B.W. Sigurskjold, Birthe Brandt Kragelund, K.V. Andersen and J. Knudsen. (1996) Thermodynamics of ligand binding to acyl-coenzyme, A binding protein studied by titration calometry Biochemistry 37(35):14118-14126.

1995

220.

Birthe Brandt Kragelund, C.R. Robinson, J. Knudsen, C.M. Dobson and Flemming Poulsen. (1995) Folding of a four-helix bundle. Studies of acyl-coenzyme A binding protein Biochemistry 37(34):7217-7224.

221.

Birthe Brandt Kragelund, J. Knudsen and Flemming Poulsen. (1995) Local perturbations by ligand binding on hydrogen exchange kinetics in a four-helix bundle protein, acyl-coenzyme A binding protein (ACBP) J. Mol. Biol. 37(250):695-706.

1993

222.

Birthe Brandt Kragelund, K.V. Andersen, J.C. Madsen, J. Knudsen and Flemming Poulsen. (1993) Threedimensional structure of the complex acyl-coenzyme, A binding protein and palmitoyl-coenzyme A J. Mol. Biol. 37(230):1260-1277.

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