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The Journal of Physical Chemistry. B|September 11, 2025
Multistate Kinetic Model of the Sodium-Potassium ATPaseJose Guerra, Huan Rui, Benoît RouxJournal of Chemical Information and Modeling|December 9, 2025
GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMDSarah Moe, Christophe Chipot, Benoît RouxThe Journal of Physical Chemistry Letters|April 1, 2024
Configurational Sampling of All-Atom Solvated Membranes Using Hybrid Nonequilibrium Molecular Dynamics Monte Carlo SimulationsFlorence Szczepaniak, François Dehez, Benoît RouxThe Journal of Physical Chemistry. B|January 16, 2024
How is Membrane Permeation of Small Ionizable Molecules Affected by Protonation Kinetics?Jonathan Harris, Christophe Chipot, Benoît RouxThe Journal of Physical Chemistry. B|September 16, 2024
Statistical Mechanical Theories of Membrane PermeabilityJonathan Harris, Christophe Chipot, Benoît RouxBiochimica Et Biophysica Acta|February 21, 2016
Multi-ion free energy landscapes underscore the microscopic mechanism of ion selectivity in the KcsA channelDavid Medovoy, Eduardo Perozo, Benoît RouxThe Journal of Chemical Physics|November 18, 2024
Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoirFlorence Szczepaniak, François Dehez, Benoît RouxThe Journal of Physical Chemistry. B|November 21, 2025
The Dawn of Alchemical Free-Energy Methods in Biomolecular SimulationsDaniele Macuglia, Giovanni Ciccotti, Benoît RouxThe Journal of General Physiology|November 29, 2023
Anionic omega currents from single countercharge mutants in the voltage-sensing domain of Ci-VSPRong Shen, Benoît Roux, Eduardo PerozoThe Journal of Chemical Physics|February 28, 2021
A critical perspective on Markov state model treatments of protein-protein association using coarse-grained simulationsZiwei He, Fabian Paul, Benoît RouxPageof 33