Helmut Grubmuller
Helmut Grubmuller
Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary
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Cited by
Cited by
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
Molecular anatomy of a trafficking organelle
S Takamori, M Holt, K Stenius, EA Lemke, M Grĝnborg, D Riedel, ...
Cell 127 (4), 831-846, 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
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
Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force
H Grubmüller, B Heymann, P Tavan
Science 271 (5251), 997-999, 1996
Predicting slow structural transitions in macromolecular systems: Conformational flooding
H Grubmüller
Physical Review E 52 (3), 2893, 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
Effect of sodium chloride on a lipid bilayer
RA Böckmann, A Hac, T Heimburg, H Grubmüller
Biophysical journal 85 (3), 1647-1655, 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
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
Generalized correlation for biomolecular dynamics
OF Lange, H Grubmüller
Proteins: Structure, Function, and Bioinformatics 62 (4), 1053-1061, 2006
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
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
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
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
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
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
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
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
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
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