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Zeitschriftenartikel (164)

121.
Zeitschriftenartikel
Seeliger, D.; de Groot, B. L.: Conformational transitions upon ligand binding: Holo-structure prediction from apo conformations. PLoS Computational Biology 6 (1), e1000634 (2010)
122.
Zeitschriftenartikel
Aponte-Santamaria, C.; Hub, J. S.; de Groot, B. L.: Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin. Physical Chemistry Chemical Physics 12 (35), S. 10246 - 10254 (2010)
123.
Zeitschriftenartikel
Fenton, R. A.; Moeller, H. B.; Nielsen, S.; de Groot, B. L.; Rutzler, M.: A plate reader-based method for cell water permeability measurement. American Journal of Physiology 298 (1), S. F224 - F230 (2010)
124.
Zeitschriftenartikel
Hub, J. S.; de Groot, B. L.: Detection of functional modes in protein dynamics. PLoS Computational Biology 5 (8), e1000480 (2009)
125.
Zeitschriftenartikel
Matthes, D.; de Groot, B. L.: Secondary structure propensities in peptide folding simulations: A systematic comparison of molecular mechanics interaction schemes. Biophysical Journal 97 (2), S. 599 - 608 (2009)
126.
Zeitschriftenartikel
Joshi, H.; Jedrzejas, M. J.; de Groot, B. L.: Domain motions of hyaluronan lyase underlying processive hyaluronan translocation. Proteins: Structure, Function and Bioinformatics 76 (1), S. 30 - 46 (2009)
127.
Zeitschriftenartikel
Stegmann, C. M.; Seeliger, D.; Sheldrick, G. M.; de Groot, B. L.; Wahl, M. C.: The thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 48 (28), S. 5207 - 5210 (2009)
128.
Zeitschriftenartikel
Seeliger, D.; de Groot, B. L.: tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 30 (7), S. 1160 - 1166 (2009)
129.
Zeitschriftenartikel
Portella, G.; de Groot, B. L.: Determinants of water permeability through nanoscopic hydrophilic channels. Biophysical Journal 96 (3), S. 925 - 938 (2009)
130.
Zeitschriftenartikel
Benedix, A.; Becker, C. M.; de Groot, B. L.; Caflisch, A.; Boeckmann, R. A.: Predicting free energy changes using structural ensembles. Nature Methods 6 (1), S. 3 - 4 (2009)
131.
Zeitschriftenartikel
Fischer, G.; Kosinska-Eriksson, U.; Aponte-Santamaria, C. A.; Palmgren, M.; Geijer, M.; Hedfalk, K.; Hohmann, S.; de Groot, B. L.; Neutze, R.; Lindkvist-Petersson, K.: Crystal structure of a yeast aquaporin at 1.15 angstrom reveals a novel gating mechanism. PLoS Biology 7 (6), e1000130 (2009)
132.
Zeitschriftenartikel
Lakomek, N. A.; Lange, O.; Walter, K.; Fares, C.; Egger, D.; Lunkenheimer, P.; Meiler, J.; Grubmueller, H.; Becker, S.; de Groot, B. L. et al.; Griesinger, C.: Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions 36 (6), S. 1433 - 1437 (2008)
133.
Zeitschriftenartikel
Kubitzki, M. B.; de Groot, B. L.: The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure 16 (8), S. 1175 - 1182 (2008)
134.
Zeitschriftenartikel
Lakomek, N. A.; Walter, K.; Fares, C.; Lange, O.; de Groot, B. L.; Grubmueller, H.; Brueschweiler, R.; Munk, A.; Becker, S.; Meiler, J. et al.; Griesinger, C.: Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Journal of Biomolecular NMR 41 (3), S. 139 - 155 (2008)
135.
Zeitschriftenartikel
Lange, O.F.; Lakomek, N. A.; Fares, C.; Schroeder, G. F.; Walter, K.; Becker, S.; Meiler, J.; Grubmueller, H.; Griesinger, C.; de Groot, B. L.: Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 320 (5882), S. 1471 - 1475 (2008)
136.
Zeitschriftenartikel
Zachariae, U.; Schneider, R.; Velisetty, P.; Lange, A.; Seeliger, D.; Wacker, S.; Karimi-Nejad, J.; Vriend, G.; Becker, S.; Pongs, O. et al.; Baldus, M.; de Groot, B. L.: The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation. Structure 16 (5), S. 747 - 754 (2008)
137.
Zeitschriftenartikel
Hartmann, C.; Chami, M.; Zachariae, U.; de Groot, B. L.; Engel, A.; Gruetter, M. G.: Vacuolar protein sorting: two different functional states of the AAA-ATPase Vps4p. Journal of Molecular Biology 377 (2), S. 352 - 363 (2008)
138.
Zeitschriftenartikel
Hub, J.; de Groot, B. L.: Mechanism of selectivity in aquaporins and aquaglyceroporins. Proceedings of the National Acadamy of Sciences of the United States of America 105 (4), S. 1198 - 1203 (2008)
139.
Zeitschriftenartikel
Boeckmann, R. A.; de Groot, B. L.; Kakorin, S.; Neumann, E.; Grubmueller, H.: Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophysical Journal 95, S. 1837 - 1850 (2008)
140.
Zeitschriftenartikel
Mueller, E. M.; Hub, J.; Grubmueller, H.; de Groot, B. L.: Is TEA an inhibitor for human Aquaporin-1? Pfluegers Archiv 456 (4), S. 663 - 669 (2008)
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