Gerhard Hummer Publications

Lans, I.; Medina, M.; Rosta, E.; Hummer, G.; Garcia-Viloca, M.; Lluch, J. M.; González-Lafont, À.: Theoretical study of the mechanism of the hydride transfer between ferredoxin-NADP⁺ reductase and NADP⁺: the role of Tyr303. Journal of the American Chemical Society 134 (50), pp. 20544 - 20553 (2012)

Schotte, F.; Cho, H. S.; Kaila, V. R. I.; Kamikubo, H.; Dashdorj, N.; Henry, E. R.; Graber, T. J.; Henning, R.; Wulff, M.; Hummer, G. et al.; Kataoka, M.; Anfinrud, P. A.: Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography. Proceedings of the National Academy of Sciences of the United States of America 109 (47), pp. 19256 - 19261 (2012)

Zhu, F.; Hummer, G.: Theory and simulation of ion conduction in the pentameric GLIC channel. Journal of Chemical Theory and Computation 8 (10), pp. 3759 - 3768 (2012)

Różycki, B.; Boura, E.; Hurley, J. H.; Hummer, G.: Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexes. PLoS Computational Biology 8 (10), e1002736 (2012)

Hummer, G.; Eaton, W. A.: Transition path times for DNA and RNA folding from force spectroscopy. Physics 5, 87 (2012)

Mittal, J.; Hummer, G.: Pair diffusion, hydrodynamic interactions, and available volume in dense fluids. The Journal of Chemical Physics 137 (3), 034110 (2012)

Zhu, F.; Hummer, G.: Drying transition in the hydrophobic gate of the GLIC channel blocks ion conduction. Biophysical Journal 103 (2), pp. 219 - 227 (2012)

Johnson, M. E.; Hummer, G.: Characterization of a dynamic string method for the construction of transition pathways in molecular reactions. The Journal of Physical Chemistry B 116 (29), pp. 8573 - 8583 (2012)

Waghe, A.; Rasaiah, J. C.; Hummer, G.: Entropy of single-file water in (6,6) carbon nanotubes. The Journal of Chemical Physics 137 (4), 044709 (2012)

Boura, E.; Różycki, B.; Chung, H. S.; Herrick, D. Z.; Canagarajah, B.; Cafiso, D. S.; Eaton, W. A.; Hummer, G.; Hurley, J. H.: Solution structure of the ESCRT-I and -II supercomplex: implications for membrane budding and scission. Structure 20 (5), pp. 874 - 886 (2012)

Kim, Y. C.; Hummer, G.: Proton-pumping mechanism of cytochrome c oxidase: a kinetic master-equation approach. Biochimica et Biophysica Acta: BBA 1817 (4), pp. 526 - 536 (2012)

Wikström, M.; Hummer, G.: Stoichiometry of proton translocation by respiratory complex I and its mechanistic implications. Proceedings of the National Academy of Sciences of the United States of America 109 (12), pp. 4431 - 4436 (2012)

Zhu, F.; Hummer, G.: Convergence and error estimation in free energy calculations using the weighted histogram analysis method. Journal of Computational Chemistry 33 (4), pp. 453 - 465 (2012)

Hummer, G.: Non-equilibrium molecular dynamics for biomolecular systems using fluctuation theorems. In: Hierarchical Methods for Dynamics in Complex Molecular Systems: IAS Winter School, 5 – 9 March 2012 Forschungszentrum Jülich GmbH Lecture Notes, pp. 269 - 279 (Ed. Grotendorst, J.). Forschungszentrum Jülich, Jülich (2012)