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Journal of the American Chemical Society|February 5, 2009
Multifrequency electron spin resonance spectra of a spin-labeled protein calculated from molecular dynamics simulationsDeniz Sezer, Jack H Freed, Benoît RouxJournal of Chemical Theory and Computation|April 1, 2010
Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentialsLuca Maragliano, Eric Vanden-Eijnden, Benoît RouxThe Journal of Chemical Physics|August 24, 2018
A generalized linear response framework for expanded ensemble and replica exchange simulationsBrian K Radak, Donghyuk Suh, Benoît RouxBiomolecular NMR Assignments|October 5, 2018
1H, 15N, and 13C resonance assignments of the intrinsically disordered SH4 and Unique domains of HckMatthew P Pond, Lydia Blachowicz, Benoît RouxThe Journal of Physical Chemistry. B|December 31, 2014
Computational study of the "DFG-flip" conformational transition in c-Abl and c-Src tyrosine kinasesYilin Meng, Yen-lin Lin, Benoît RouxProceedings of the National Academy of Sciences of the United States of America|November 9, 2010
Two mechanisms of ion selectivity in protein binding sitesHaibo Yu, Sergei Yu Noskov, Benoît RouxThe Journal of Physical Chemistry. B|October 14, 2010
Energetics of double-ion occupancy in the gramicidin A channelYuhui Li, Olaf S Andersen, Benoît RouxNature|October 16, 2004
Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligandsSergei Yu Noskov, Simon Bernèche, Benoît RouxJournal of Chemical Theory and Computation|November 24, 2015
Relative Free Energies for Hydration of Monovalent Ions from QM and QM/MM SimulationsBogdan Lev, Benoît Roux, Sergei Yu NoskovJournal of the American Chemical Society|February 10, 2009
Many-body polarization effects and the membrane dipole potentialEdward Harder, Alexander D Mackerell, Benoît RouxPageof 59