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Benoit Roux, Ph.D.

Biochemistry and Molecular Biology University of Chicago, Chicago, IL 
computational chemistry and biophysics
"Benoit Roux"
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Mean distance: 7.67


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Rémy D. Sauvé research assistant 1985 Université de Montréal
Martin Karplus grad student 1985-1990 Harvard
Jeremy C. Smith post-doc 1991-1992 Commissariat à l'Energie Atomique


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Wonpil Im grad student
Guillaume Lamoureux grad student Université de Montréal
Patrick Lague grad student 2001 Université de Montréal
Janice L. Robertson grad student 2002-2009 Weill Cornell Medical College
Wenxun Gan grad student 2010 Chicago
Brigitte Kathleen Ziervogel grad student 2012 Chicago
David Medovoy grad student 2013 Chicago
Ernesto Vargas Lopez grad student 2013 Chicago
Kevin C. Song grad student 2012-2019 Chicago
Toby W. Allen post-doc Chicago
Albert Lau post-doc Chicago
Yun Lyna Luo post-doc Argonne National Laboratory
Sergei Y. Noskov post-doc Chicago
Tom Woolf post-doc (Neurotree)
Thomas Woolf post-doc
Sichun Yang post-doc
Regis Pomes post-doc 1993-1996 physics
Devleena M. Shivakumar post-doc 2006-2008 Chicago
Haibo Yu post-doc 2007-2010 Chicago
Christopher N. Rowley post-doc 2010-2012 Chicago
James C. Gumbart post-doc 2011-2013 Chicago
Karen M. Callahan post-doc 2010-2014 Chicago
Eliot Boulanger post-doc 2015-2017 Chicago
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Shen R, Meng Y, Roux B, et al. (2022) Mechanism of voltage gating in the voltage-sensing phosphatase Ci-VSP. Proceedings of the National Academy of Sciences of the United States of America. 119: e2206649119
Bignucolo O, Chipot C, Kellenberger S, et al. (2022) Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins. The Journal of Physical Chemistry. B. 126: 6868-6877
Fu H, Chen H, Blazhynska M, et al. (2022) Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations. Nature Protocols
Faruk NF, Peng X, Freed KF, et al. (2022) Challenges and Advantages of Accounting for Backbone Flexibility in Prediction of Protein-Protein Complexes. Journal of Chemical Theory and Computation. 18: 2016-2032
Song KC, Molina AV, Chen R, et al. (2021) Folding and misfolding of potassium channel monomers during assembly and tetramerization. Proceedings of the National Academy of Sciences of the United States of America. 118
Li J, Shen R, Rohaim A, et al. (2021) Computational study of non-conductive selectivity filter conformations and C-type inactivation in a voltage-dependent potassium channel. The Journal of General Physiology. 153
Brooks CL, Case DA, Plimpton S, et al. (2021) Classical molecular dynamics. The Journal of Chemical Physics. 154: 100401
Thirman J, Rui H, Roux B. (2021) Elusive Intermediate State Key in the Conversion of ATP Hydrolysis into Useful Work Driving the Ca Pump SERCA. The Journal of Physical Chemistry. B
Baudry J, Bondar AN, Cournia Z, et al. (2021) Editorial: Advances in computational molecular biophysics. Biochimica Et Biophysica Acta. General Subjects. 129888
Ngo V, Li H, MacKerell AD, et al. (2021) Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel. Journal of Chemical Theory and Computation
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