| CHARMM36m: An improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ... Nature Methods 14, 71-73, 2017 | 4614 | 2017 |
| Molecular anatomy of a trafficking organelle S Takamori, M Holt, K Stenius, EA Lemke, M Grønborg, D Riedel, ... Cell 127 (4), 831-846, 2006 | 2571 | 2006 |
| Water permeation across biological membranes: mechanism and dynamics of aquaporin-1 and GlpF BL de Groot, H Grubmuller Science 294 (5550), 2353-2357, 2001 | 1214 | 2001 |
| Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution OF Lange, NA Lakomek, C Fares, GF Schroder, KFA Walter, S Becker, ... science 320 (5882), 1471-1475, 2008 | 1165 | 2008 |
| Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force H Grubmüller, B Heymann, P Tavan Science 271 (5251), 997-999, 1996 | 1125 | 1996 |
| Predicting slow structural transitions in macromolecular systems: Conformational flooding H Grubmüller Physical Review E 52 (3), 2893, 1995 | 789 | 1995 |
| Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions H Grubmüller, H Heller, A Windemuth, K Schulten Molecular Simulation 6 (1-3), 121-142, 1991 | 758 | 1991 |
| Effect of sodium chloride on a lipid bilayer RA Böckmann, A Hac, T Heimburg, H Grubmüller Biophysical journal 85 (3), 1647-1655, 2003 | 672 | 2003 |
| Membrane protein sequestering by ionic protein–lipid interactions G Van Den Bogaart, K Meyenberg, HJ Risselada, H Amin, KI Willig, ... Nature 479 (7374), 552-555, 2011 | 612 | 2011 |
| Anatomy and dynamics of a supramolecular membrane protein cluster JJ Sieber, KI Willig, C Kutzner, C Gerding-Reimers, B Harke, G Donnert, ... Science 317 (5841), 1072-1076, 2007 | 517 | 2007 |
| Generalized correlation for biomolecular dynamics OF Lange, H Grubmüller Proteins: Structure, Function, and Bioinformatics 62 (4), 1053-1061, 2006 | 460 | 2006 |
| Mechanoenzymatics of titin kinase EM Puchner, A Alexandrovich, AL Kho, U Hensen, LV Schäfer, ... Proceedings of the National Academy of Sciences 105 (36), 13385-13390, 2008 | 421 | 2008 |
| Structural ensembles of intrinsically disordered proteins depend strongly on force field: a comparison to experiment S Rauscher, V Gapsys, MJ Gajda, M Zweckstetter, BL De Groot, ... Journal of chemical theory and computation 11 (11), 5513-5524, 2015 | 420 | 2015 |
| g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation MG Wolf, M Hoefling, C Aponte‐Santamaría, H Grubmüller, G Groenhof Journal of computational chemistry 31 (11), 2169-2174, 2010 | 388 | 2010 |
| Structure and function of water channels Y Fujiyoshi, K Mitsuoka, BL De Groot, A Philippsen, H Grubmüller, P Agre, ... Current opinion in structural biology 12 (4), 509-515, 2002 | 371 | 2002 |
| Interaction of urea with amino acids: implications for urea-induced protein denaturation MC Stumpe, H Grubmüller Journal of the American Chemical Society 129 (51), 16126-16131, 2007 | 366 | 2007 |
| Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations RA Böckmann, BL De Groot, S Kakorin, E Neumann, H Grubmüller Biophysical journal 95 (4), 1837-1850, 2008 | 351 | 2008 |
| Single-molecule fluorescence resonance energy transfer reveals a dynamic equilibrium between closed and open conformations of syntaxin 1 M Margittai, J Widengren, E Schweinberger, GF Schröder, S Felekyan, ... Proceedings of the National Academy of Sciences 100 (26), 15516-15521, 2003 | 346 | 2003 |
| The mechanism of proton exclusion in the aquaporin-1 water channel BL De Groot, T Frigato, V Helms, H Grubmüller Journal of molecular biology 333 (2), 279-293, 2003 | 344 | 2003 |
| More bang for your buck: Improved use of GPU nodes for GROMACS 2018 C Kutzner, S Páll, M Fechner, A Esztermann, BL de Groot, H Grubmüller Journal of computational chemistry 40 (27), 2418-2431, 2019 | 343 | 2019 |
