Publications of H. Grubmüller

Schäfer, L.; Müller, E. M.; Gaub, H. E.; Grubmüller, H.: Elastic properties of photoswitchable azobenzene polymers from molecular dynamics simulations. Angewandte Chemie International Edition 46 (13), pp. 2232 - 2237 (2007)

Stumpe, M.; Grubmueller, H.: Aqueous urea solutions: Structure, energetics, and urea aggregation. Journal of Physical Chemistry B 111 (22), pp. 6220 - 6228 (2007)

Takamori, S.; Holt, M.; Stenius, K.; Lemke, E.; Groenborg, M.; Riedel, D.; Urlaub, H.; Schenck, S.; Bruegger, B.; Ringler, P. et al.; Mueller, S.; Rammner, B.; Graeter, F.; Hub, J. S.; de Groot, B. L.; Mieskes, G.; Moriyama, Y.; Klingauf, J.; Grubmueller, H.; Heuser, J.; Wieland, F.; Jahn, R.: Molecular anatomy of a trafficking organelle. Cell 127 (4), pp. 831 - 846 (2006)

Lange, O.; Grubmueller, H.: Can principal components yield a dimension reduced description of protein dynamics on long time scales? Journal of Physical Chemistry B 110 (45), pp. 22842 - 22852 (2006)

Lange, O.; Schaefer, L.; Grubmueller, H.: Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics. Journal of Computational Chemistry 27, pp. 1693 - 1702 (2006)

Graeter, F.; de Groot, B. L.; Jiang, H.; Grubmueller, H.: Ligand-release pathways in the pheromone-binding protein of Bombyx mori. Structure 14 (10), pp. 1567 - 1576 (2006)

Graeter, F.; Xu, W.; Leal, W.; Grubmueller, H.: Pheromone discrimination by the pheromone-binding protein of Bombyx mori. Structure 14 (10), pp. 1577 - 1586 (2006)

Zachariae, U.; Grubmueller, H.: A highly strained nuclear conformation of the exportin Cse1p revealed by molecular dynamics simulations. Structure 14 (9), pp. 1469 - 1478 (2006)

Stock, G.; Wachtveitl, J.; Grubmueller, H.: Nonequilibrium dynamics in biomolecules. Chemical Physics 323 (1), p. 1 - 1 (2006)

de Groot, B. L.; Boeckmann, R. A.; Grubmueller, H.: Proteindynamik-Simulationen. Molekulare Nanomaschinen unter der Lupe. Physik in unserer Zeit 37, pp. 73 - 79 (2006)

Lange, O.; Grubmueller, H.: Generalized correlation for biomolecular dynamics. Proteins: Structure, Function and Bioinformatics 62 (4), pp. 1053 - 1061 (2006)

Lange, O.; Grubmueller, H.: Collective Langevin dynamics of conformational motions in proteins. Journal of Chemical Physics 124 (21), 214903 (2006)

Soerensen, J. B.; Wiederhold, K.; Mueller, E. M.; Milosevic, I.; Nagy, G.; de Groot, B. L.; Grubmueller, H.; Fasshauer, D.: Sequential N-to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles. EMBO Journal 25, pp. 955 - 966 (2006)

Zachariae, U.; Grubmüller, H.: Prediction of a RanGTP-induced conformational switch in the exportin CAS/Cse1p by molecular dynamics simulations. MPIbpc News 5, pp. 1 - 6 (2006)

Schroeder, G.; Alexiev, U.; Grubmueller, H.: Simulation of fluorescence anisotropy experiments: Probing protein dynamics. Biophysical Journal 89 (6), pp. 3757 - 3770 (2005)

Wozniak, A. K.; Nottrott, S.; Kuehn-Hoelsken, E.; Schroeder, G.; Grubmueller, H.; Luehrmann, R.; Seidel, C.; Oesterhelt, F.: Detecting protein-induced folding of the U4 snRNA kink-turn by single-molecule multiparameter FRET measurements. RNA 11 (10), pp. 1545 - 1554 (2005)

Andresen, M.; Wahl, M. C.; Stiel, A. C.; Graeter, F.; Schaefer, L.; Trowitzsch, S.; Weber, G.; Eggeling, C.; Grubmueller, H.; Hell, S. W. et al.; Jakobs, S.: Structure and mechanism of the reversible photoswitch of a fluorescent protein. Proceedings of the National Academy of Sciences of the United States of America 102 (37), pp. 13070 - 13074 (2005)

Heise, H.; Luca, S.; de Groot, B. L.; Grubmueller, H.; Baldus, M.: Probing conformational disorder in neurotensin by two-dimensional solid-state NMR and comparison to molecular dynamics simulations. Biophysical Journal 89 (3), pp. 2113 - 2120 (2005)

de Groot, B. L.; Grubmueller, H.: The dynamics and energetics of water permeation and proton exclusion in aquaporins. Current Opinion in Structural Biology 15 (2), pp. 176 - 183 (2005)

Graeter, F.; Shen, J. H.; Jiang, H.; Gautel, M.; Grubmueller, H.: Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations. Biophysical Journal 88 (2), pp. 790 - 804 (2005)