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Proteins|July 16, 2008
Flexibility and charge asymmetry in the activation loop of Src tyrosine kinasesNilesh K Banavali, Benoît RouxJournal of the American Chemical Society|September 5, 2013
Computational analysis of the binding specificity of Gleevec to Abl, c-Kit, Lck, and c-Src tyrosine kinasesYen-Lin Lin, Benoît RouxThe Journal of Physical Chemistry Letters|April 3, 2026
An Expanded Markov State Model-Transition Path Theory Framework for Ion Conduction Reactive Pathways through Membrane ChannelsRamon Mendoza Uriarte, Benoît RouxProceedings of the National Academy of Sciences of the United States of America|May 4, 2005
Calculation of absolute protein-ligand binding free energy from computer simulationsHyung-June Woo, Benoît RouxProteins|March 24, 2007
Anatomy of a structural pathway for activation of the catalytic domain of Src kinase HckNilesh K Banavali, Benoît RouxJournal of the American Chemical Society|May 5, 2005
Free energy landscape of A-DNA to B-DNA conversion in aqueous solutionNilesh K Banavali, Benoît RouxThe Journal of Physical Chemistry. B|March 21, 2013
Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron-electron resonance spectroscopyBenoît Roux, Shahidul M IslamThe Journal of General Physiology|September 18, 2013
A computational study of barium blockades in the KcsA potassium channel based on multi-ion potential of mean force calculations and free energy perturbationChristopher N Rowley, Benoît RouxStructure (London, England : 1993)|December 4, 2012
The binding of antibiotics in OmpF porinBrigitte K Ziervogel, Benoît RouxStructure (London, England : 1993)|October 12, 2005
One channel: open and closedJanice L Robertson, Benoît RouxPageof 33