Publikationen von B. L. de Groot
Alle Typen
Zeitschriftenartikel (198)
141.
Zeitschriftenartikel
97 (2), S. 599 - 608 (2009)
Secondary structure propensities in peptide folding simulations: A systematic comparison of molecular mechanics interaction schemes. Biophysical Journal 142.
Zeitschriftenartikel
76 (1), S. 30 - 46 (2009)
Domain motions of hyaluronan lyase underlying processive hyaluronan translocation. Proteins: Structure, Function and Bioinformatics 143.
Zeitschriftenartikel
48 (28), S. 5207 - 5210 (2009)
The thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 144.
Zeitschriftenartikel
30 (7), S. 1160 - 1166 (2009)
tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 145.
Zeitschriftenartikel
96 (3), S. 925 - 938 (2009)
Determinants of water permeability through nanoscopic hydrophilic channels. Biophysical Journal 146.
Zeitschriftenartikel
6 (1), S. 3 - 4 (2009)
Predicting free energy changes using structural ensembles. Nature Methods 147.
Zeitschriftenartikel
7 (6), e1000130 (2009)
Crystal structure of a yeast aquaporin at 1.15 angstrom reveals a novel gating mechanism. PLoS Biology 148.
Zeitschriftenartikel
36 (6), S. 1433 - 1437 (2008)
Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions 149.
Zeitschriftenartikel
16 (8), S. 1175 - 1182 (2008)
The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure 150.
Zeitschriftenartikel
41 (3), S. 139 - 155 (2008)
Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Journal of Biomolecular NMR 151.
Zeitschriftenartikel
320 (5882), S. 1471 - 1475 (2008)
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 152.
Zeitschriftenartikel
16 (5), S. 747 - 754 (2008)
The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation. Structure 153.
Zeitschriftenartikel
377 (2), S. 352 - 363 (2008)
Vacuolar protein sorting: two different functional states of the AAA-ATPase Vps4p. Journal of Molecular Biology 154.
Zeitschriftenartikel
105 (4), S. 1198 - 1203 (2008)
Mechanism of selectivity in aquaporins and aquaglyceroporins. Proceedings of the National Acadamy of Sciences of the United States of America 155.
Zeitschriftenartikel
95, S. 1837 - 1850 (2008)
Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophysical Journal 156.
Zeitschriftenartikel
456 (4), S. 663 - 669 (2008)
Is TEA an inhibitor for human Aquaporin-1? Pfluegers Archiv 157.
Zeitschriftenartikel
95, S. 2275 - 2282 (2008)
Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels. Biophysical Journal 158.
Zeitschriftenartikel
15 (11), S. 1482 - 1492 (2007)
Geometry-based sampling of conformational transitions in proteins. Structure 159.
Zeitschriftenartikel
93 (9), S. 3156 - 3168 (2007)
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments. Biophysical Journal 160.
Zeitschriftenartikel
36 (8), S. 919 - 931 (2007)
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments. European Biophysical Journal