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Journal of Chemical Theory and Computation|November 18, 2015
Free energies from dynamic weighted histogram analysis using unbiased Markov state modelEdina Rosta, Gerhard HummerThe Journal of Physical Chemistry. B|July 8, 2016
Divergent Diffusion Coefficients in Simulations of Fluids and Lipid MembranesMartin Vögele, Gerhard HummerNature Communications|December 22, 2025
AI-guided transition path sampling of lipid flip-flop and membrane nanoporationMatthias Post, Gerhard HummerThe Journal of Chemical Physics|July 1, 2026
Extrapolating molecular dynamics simulations to zero time step and across thermodynamic spaceKush Coshic, Gerhard HummerProceedings of the National Academy of Sciences of the United States of America|March 7, 2012
Stoichiometry of proton translocation by respiratory complex I and its mechanistic implicationsMårten Wikström, Gerhard HummerPhysical Review Letters|August 23, 2002
Single-file transport of water molecules through a carbon nanotubeAlexander Berezhkovskii, Gerhard HummerBiophysical Journal|August 3, 2012
Drying transition in the hydrophobic gate of the GLIC channel blocks ion conductionFangqiang Zhu, Gerhard HummerThe Journal of Chemical Physics|July 27, 2012
Pair diffusion, hydrodynamic interactions, and available volume in dense fluidsJeetain Mittal, Gerhard HummerBiophysical Journal|July 12, 2005
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculationsChristine Peter, Gerhard HummerJournal of Chemical Theory and Computation|February 16, 2013
Theory and simulation of ion conduction in the pentameric GLIC channelFangqiang Zhu, Gerhard HummerPageof 32