| 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 (1), 71-73, 2017 | 4415 | 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 | 2568 | 2006 |
| Ligand docking and binding site analysis with PyMOL and Autodock/Vina D Seeliger, BL de Groot Journal of computer-aided molecular design 24 (5), 417-422, 2010 | 1978 | 2010 |
| g_wham A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates JS Hub, BL De Groot, D Van Der Spoel Journal of chemical theory and computation 6 (12), 3713-3720, 2010 | 1476 | 2010 |
| Water permeation across biological membranes: mechanism and dynamics of aquaporin-1 and GlpF BL de Groot, H Grubmuller Science 294 (5550), 2353-2357, 2001 | 1205 | 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 | 1162 | 2008 |
| Mechanism of selectivity in aquaporins and aquaglyceroporins JS Hub, BL De Groot Proceedings of the National Academy of Sciences 105 (4), 1198-1203, 2008 | 473 | 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 | 413 | 2015 |
| Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments LS Vermeer, BL De Groot, V Réat, A Milon, J Czaplicki European Biophysics Journal 36, 919-931, 2007 | 376 | 2007 |
| 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 |
| An efficient method for sampling the essential subspace of proteins A Amadei, ABM Linssen, BL de Groot, DMF Van Aalten, HJC Berendsen Journal of Biomolecular Structure and Dynamics 13 (4), 615-625, 1996 | 363 | 1996 |
| 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 | 350 | 2008 |
| 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 | 346 | 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 | 341 | 2019 |
| Prediction of protein conformational freedom from distance constraints BL de Groot, DMF Van Aalten, RM Scheek, A Amadei, G Vriend, ... Proteins: Structure, Function, and Bioinformatics 29 (2), 240-251, 1997 | 335 | 1997 |
| The dynamics and energetics of water permeation and proton exclusion in aquaporins BL de Groot, H Grubmüller Current opinion in structural biology 15 (2), 176-183, 2005 | 330 | 2005 |
| Ion permeation in K+ channels occurs by direct Coulomb knock-on DA Köpfer, C Song, T Gruene, GM Sheldrick, U Zachariae, BL de Groot Science 346 (6207), 352-355, 2014 | 317 | 2014 |
| Sequential N‐to C‐terminal SNARE complex assembly drives priming and fusion of secretory vesicles JB Sørensen, K Wiederhold, EM Müller, I Milosevic, G Nagy, BL de Groot, ... The EMBO journal 25 (5), 955-966, 2006 | 313 | 2006 |
| Predicting free energy changes using structural ensembles A Benedix, CM Becker, BL de Groot, A Caflisch, RA Böckmann Nature methods 6 (1), 3-4, 2009 | 271 | 2009 |
| Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR data OF Lange, D Van der Spoel, BL De Groot Biophysical journal 99 (2), 647-655, 2010 | 258 | 2010 |
Helmut GrubmullerTheoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary在 gwdg.de 的电子邮件经过验证
