Gerhard Hummer Publications

Kim, Y. C.; Furchtgott, L. A.; Hummer, G.: Biological proton pumping in an oscillating electric field. Physical Review Letters 103 (26), 268102 (2009)

Zhu, F.; Hummer, G.: Gating transition of pentameric ligand-gated ion channels. Biophysical Journal (Annual Meeting Abstracts) 97 (9), pp. 2456 - 2463 (2009)

Rosta, E.; Hummer, G.: Error and efficiency of replica exchange molecular dynamics simulations. The Journal of Chemical Physics 131 (16), 165102 (2009)

Frewen, T. A.; Hummer, G.; Kevrekidis, I. G.: Exploration of effective potential landscapes using coarse reverse integration. The Journal of Chemical Physics 131 (13), 134104 (2009)

Kaila, V. R. I.; Verkhovsky, M. I.; Hummer, G.; Wikström, M.: Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidase. Biochimica et Biophysica Acta (BBA) - General Subjects 1787 (10), pp. 1205 - 1214 (2009)

Rosta, E.; Woodcock, H. L.; Brooks, B. R.; Hummer, G.: Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase H. Journal of Computational Chemistry 30 (11), pp. 1634 - 1641 (2009)

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)