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Structure (London, England : 1993)|October 17, 2007
The free energy landscapes governing conformational changes in a glutamate receptor ligand-binding domainAlbert Y Lau, Benoît RouxBiophysical Journal|December 25, 2025
Conductance of a potassium channel in the limit of zero membrane potentialRamon Mendoza Uriarte, Benoît RouxJournal of Chemical Theory and Computation|November 29, 2015
Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective VariablesJérome Hénin, Giacomo Fiorin, Christophe Chipot, et al.Plos Computational Biology|October 3, 2012
The p7 protein of hepatitis C virus forms structurally plastic, minimalist ion channelsDanielle E Chandler, François Penin, Klaus Schulten, et al.Journal of Materials Chemistry. B|January 10, 2025
Probing the orientation and membrane permeation of rhodamine voltage reporters through molecular simulations and free energy calculationsYajing Qi, Lap Yan Fung, Christophe Chipot, et al.Journal of Chemical Theory and Computation|May 18, 2018
Link between Membrane Composition and Permeability to DrugsChi Hang Tse, Jeffrey Comer, Yi Wang, et al.Journal of Chemical Theory and Computation|November 20, 2015
Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection RulesJeffrey Comer, James C Phillips, Klaus Schulten, et al.Journal of Chemical Theory and Computation|January 31, 2020
Identification of Druggable Kinase Target Conformations Using Markov Model Metastable States Analysis of apo-AblFabian Paul, Yilin Meng, Benoît RouxBiophysical Journal|November 5, 2002
Modeling the structure of agitoxin in complex with the Shaker K+ channel: a computational approach based on experimental distance restraints extracted from thermodynamic mutant cyclesMats A L Eriksson, Benoît RouxBiophysical Journal|August 19, 2009
Atomistic view of the conformational activation of Src kinase using the string method with swarms-of-trajectoriesWenxun Gan, Sichun Yang, Benoît RouxPageof 59