Publications of Gerhard Hummer

Boura, E.; Rózycki, B.; Herrick, D. Z.; Chung, H. S.; Vecer, J.; Eaton, W. A.; Cafiso, D. S.; Hummer, G.; Hurley, J. H.: Solution structure of the ESCRT-I complex by small-angle X-ray scattering, EPR, and FRET spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 108 (23), pp. 9437 - 9442 (2011)

Rosta, E.; Nowotny, M.; Yang, W.; Hummer, G.: Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations. Journal of the American Chemical Society 133 (23), pp. 8934 - 8941 (2011)

Różycki, B.; Kim, Y. C.; Hummer, G.: SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions. Structure 19 (1), pp. 109 - 116 (2011)

Johnson, M. E.; Hummer, G.: Nonspecific binding limits the number of proteins in a cell and shapes their interaction networks. Proceedings of the National Academy of Sciences of the United States of America 108 (2), pp. 603 - 608 (2011)

Leonard, T. A.; Różycki, B.; Saidi, L. F.; Hummer, G.; Hurley, J. H.: Crystal structure and allosteric activation of protein kinase C βII. Cell 144 (1), pp. 55 - 66 (2011)

Yin, H.; Feng, G.; Clore, G. M.; Hummer, G.; Rasaiah, J. C.: Water in the polar and nonpolar cavities of the protein interleukin-1β. The Journal of Physical Chemistry B 114 (49), pp. 16290 - 16297 (2010)

Hummer, G.; Szabo, A.: Free energy profiles from single-molecule pulling experiments. Proceedings of the National Academy of Sciences of the United States of America 107 (50), pp. 21441 - 21446 (2010)

Zhu, F.; Hummer, G.: Pore opening and closing of a pentameric ligand-gated ion channel. Proceedings of the National Academy of Sciences of the United States of America 107 (46), pp. 19814 - 19819 (2010)

Hummer, G.: Under water's influence. Nature Chemistry 2 (11), pp. 906 - 907 (2010)

Kalra, A.; Garde, S.; Hummer, G.: Lubrication by molecularly thin water films confined between nanostructured membranes. The European Physical Journal Special Topics 189 (1), pp. 147 - 154 (2010)

Hummer, G.: Catching a protein in the act. Proceedings of the National Academy of Sciences of the United States of America 107 (6), pp. 2381 - 2382 (2010)

Rosta, E.; Hummer, G.: Error and efficiency of simulated tempering simulations. The Journal of Chemical Physics 132 (3), 034102 (2010)

Best, R. B.; Hummer, G.: Coordinate-dependent diffusion in protein folding. Proceedings of the National Academy of Sciences of the United States of America 107 (3), pp. 1088 - 1093 (2010)

Mittal, J.; Hummer, G.: Interfacial thermodynamics of confined water near molecularly rough surfaces. Faraday Discussions 146, pp. 341 - 352 (2010)

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)