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Proceedings of the National Academy of Sciences of the United States of America|July 3, 2003
A microscopic view of ion conduction through the K+ channelSimon Bernèche, Benoît RouxJournal of Chemical Theory and Computation|November 14, 2013
AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATALei Huang, Benoît RouxJournal of Molecular Biology|October 10, 2013
Locking the active conformation of c-Src kinase through the phosphorylation of the activation loopYilin Meng, Benoît RouxPlos Computational Biology|March 29, 2008
Src kinase conformational activation: thermodynamics, pathways, and mechanismsSichun Yang, Benoît RouxThe Journal of Chemical Physics|March 8, 2013
On the statistical equivalence of restrained-ensemble simulations with the maximum entropy methodBenoît Roux, Jonathan WeareJournal of Molecular Biology|October 26, 2005
Electrostatics of the intracellular vestibule of K+ channelsVishwanath Jogini, Benoît RouxJournal of Chemical Theory and Computation|August 25, 2015
Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation MethodYunjie Chen, Benoît RouxJournal of Chemical Information and Modeling|August 12, 2025
Kinetic Modeling of Covalent Inhibition: Effects of Rapidly Fluctuating Intermediate StatesKyle Ghaby, Benoît RouxBiorxiv : the Preprint Server for Biology|June 12, 2025
Kinetic Modeling of Covalent Inhibition: Effects of Rapidly Fluctuating Intermediate StatesKyle Ghaby, Benoît RouxPageof 59