Publications of Gerhard Hummer

Kim, Y. C.; Wikström, M.; Hummer, G.: Kinetic gating of the proton pump in cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America 106 (33), pp. 13707 - 13712 (2009)

Best, R. B.; Hummer, G.: Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides. The Journal of Physical Chemistry B 113 (26), pp. 9004 - 9015 (2009)

Berezhkovskii, A.; Hummer, G.; Szabo, A.: Reactive flux and folding pathways in network models of coarse-grained protein dynamics. The Journal of Chemical Physics 130 (20), 205102 (2009)

Turjanski, A. G.; Hummer, G.; Gutkind, J. S.: How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study. Journal of the American Chemical Society 131 (17), pp. 6141 - 6148 (2009)

Köfinger, J.; Hummer, G.; Dellago, C.: A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics 130 (15), 154110 (2009)

Ren, X.; Kloer, D. P.; Kim, Y. C.; Ghirlando, R.; Saidi, L. F.; Hummer, G.; Hurley, J. H.: Hybrid structural model of the complete human ESCRT-0 complex. Structure 17 (3), pp. 406 - 416 (2009)

Best, R. B.; Hummer, G.: Unfolding the secrets of calmodulin. Science 323 (5914), pp. 593 - 594 (2009)

Rosta, E.; Buchete, N.-V.; Hummer, G.: Thermostat artifacts in replica exchange molecular dynamics simulations. Journal of Chemical Theory and Computation 5 (5), pp. 1393 - 1399 (2009)

Mittal, J.; Hummer, G.: Static and dynamic correlations in water at hydrophobic interfaces. Proceedings of the National Academy of Sciences of the United States of America 105 (51), pp. 20130 - 20135 (2008)

Dudko, O. K.; Hummer, G.; Szabo, A.: Theory, analysis, and interpretation of single-molecule force spectroscopy experiments. Proceedings of the National Academy of Sciences of the United States of America 105 (41), pp. 15755 - 15760 (2008)

Köfinger, J.; Hummer, G.; Dellago, C.: Macroscopically ordered water in nanopores. Proceedings of the National Academy of Sciences of the United States of America 105 (36), pp. 13218 - 13222 (2008)

Kim, Y. C.; Tang, C.; Clore, G. M.; Hummer, G.: Replica exchange simulations of transient encounter complexes in protein-protein association. Proceedings of the National Academy of Sciences of the United States of America 105 (35), pp. 12855 - 12860 (2008)

Tikhonova, I. G.; Best, R. B.; Engel, S.; Gershengorn, M. C.; Hummer, G.; Costanzi, S.: Atomistic insights into rhodopsin activation from a dynamic model. Journal of the American Chemical Society 130 (31), pp. 10141 - 10149 (2008)

Kaila, V. R. I.; Verkhovsky, M.; Hummer, G.; Wikström, M.: Prevention of leak in the proton pump of cytochrome c oxidase. Biochimica et Biophysica Acta (BBA) - General Subjects 1777 (7-8), pp. 890 - 892 (2008)

Best, R. B.; Buchete, N.-V.; Hummer, G.: Are current molecular dynamics force fields too helical? Biophysical Journal 95 (1), pp. L07 - L09 (2008)

Eaton, W. A.; Hummer, G.; Zwanzig, R. W.: A tribute to Attila Szabo. The Journal of Physical Chemistry B 112 (19), pp. 5881 - 5882 (2008)

Best, R. B.; Paci, E.; Hummer, G.; Dudko, O. K.: Pulling direction as a reaction coordinate for the mechanical unfolding of single molecules. The Journal of Physical Chemistry B 112 (19), pp. 5968 - 5976 (2008)

Buchete, N.-V.; Hummer, G.: Coarse master equations for peptide folding dynamics. The Journal of Physical Chemistry B 112 (19), pp. 6057 - 6069 (2008)

Canagarajah, B. J.; Hummer, G.; Prinz, W. A.; Hurley, J. H.: Dynamics of cholesterol exchange in the oxysterol binding protein family. Journal of Molecular Biology 378 (3), pp. 737 - 748 (2008)

Kaila, V. R. I.; Verkhovsky, M. I.; Hummer, G.; Wikström, M.: Glutamic acid 242 is a valve in the proton pump of cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America 105 (17), pp. 6255 - 6259 (2008)