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Journal of Chemical Theory and Computation|December 12, 2024
Faster Sampling in Molecular Dynamics Simulations with TIP3P-F WaterJosé Guadalupe Rosas Jiménez, Balázs Fábián, Gerhard HummerThe Journal of Chemical Physics|June 16, 2006
Effects of electric fields on proton transport through water chainsSergio A Hassan, Gerhard Hummer, Yong-Sok LeeStructure (London, England : 1993)|December 13, 2005
Slow protein conformational dynamics from multiple experimental structures: the helix/sheet transition of arc repressorRobert B Best, Yng-Gwei Chen, Gerhard HummerThe Journal of Chemical Physics|October 10, 2009
Exploration of effective potential landscapes using coarse reverse integrationThomas A Frewen, Gerhard Hummer, Ioannis G KevrekidisThe Journal of Chemical Physics|July 17, 2020
Systematic errors in diffusion coefficients from long-time molecular dynamics simulations at constant pressureSören von Bülow, Jakob Tómas Bullerjahn, Gerhard HummerProceedings of the National Academy of Sciences of the United States of America|October 17, 2013
Native contacts determine protein folding mechanisms in atomistic simulationsRobert B Best, Gerhard Hummer, William A EatonThe Journal of Chemical Physics|July 17, 2020
Optimal estimates of self-diffusion coefficients from molecular dynamics simulationsJakob Tómas Bullerjahn, Sören von Bülow, Gerhard HummerJournal of the American Chemical Society|May 5, 2011
Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulationsEdina Rosta, Marcin Nowotny, Wei Yang, et al.Physical Review Letters|April 7, 2010
Biological proton pumping in an oscillating electric fieldYoung C Kim, Leon A Furchtgott, Gerhard HummerJournal of Chemical Theory and Computation|December 7, 2019
Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics SimulationsLisa M Pietrek, Lukas S Stelzl, Gerhard HummerPageof 59