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The Journal of Physical Chemistry. B|April 13, 2012
Ion binding sites and their representations by reduced modelsBenoît RouxAdvances in Experimental Medicine and Biology|January 28, 2026
The Role of Architectural Forces in Ion SelectivityBenoît RouxThe Journal of Chemical Physics|April 9, 2022
Transition rate theory, spectral analysis, and reactive pathsBenoît RouxBiophysical Journal|June 17, 2010
Exploring the ion selectivity properties of a large number of simplified binding site modelsBenoît RouxBiophysical Journal|July 22, 2008
The membrane potential and its representation by a constant electric field in computer simulationsBenoît RouxJournal of Chemical Theory and Computation|July 22, 2017
Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsHui Li, Janamejaya Chowdhary, Lei Huang, et al.The Journal of Physical Chemistry. B|July 12, 2013
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipidsJanamejaya Chowdhary, Edward Harder, Pedro E M Lopes, et al.The European Physical Journal. B|December 16, 2022
TYROSINE KINASES: COMPLEX MOLECULAR SYSTEMS CHALLENGING COMPUTATIONAL METHODOLOGIESTrayder Thomas, Benoît RouxThe Journal of Physical Chemistry. B|July 9, 2010
Absolute binding free energy calculations of sparsomycin analogs to the bacterial ribosomeXiaoxia Ge, Benoît RouxPageof 348