Publications | Dept. Gräter

Andresen, M.; Wahl, M.; Stiel, A.; Gräter, F.; Schäfer, L.; Trowitzsch, S.; Weber, G.; Eggeling, C.; Grubmüller, H.; Hell, S. 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)

Gräter, F.; Schwarzl, S.; Dejaegere, A.; Fischer, S.; Smith, J.: Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanics. The Journal of Physical Chemistry B 109 (20), pp. 10474 - 10483 (2005)

Gräter, F.; Shen, J.; Jiang, H.; Gautel, M.; Grubmüller, H.: Mechanically Induced Titin Kinase Activation Studied by Force-Probe Molecular Dynamics Simulations. Biophysical Journal 88 (2), pp. 790 - 804 (2005)

Li, W.; Liu, H.; Scott, E.; Gräter, F.; Halpert, J.; Luo, X.; Shen, J.; Jiang, H.: Possible pathway(s) of testosterone egress from the active site of cytochrome P450 2B1: A steered molecular dynamics simulation. Drug Metabolism and Disposition 33 (7), pp. 910 - 919 (2005)