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