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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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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
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
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)
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
Eliot Boulanger post-doc 2015-2017 Chicago
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Loeffler HH, Bosisio S, Duarte Ramos Matos G, et al. (2018) Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software. Journal of Chemical Theory and Computation
Pond MP, Blachowicz L, Roux B. (2018) H, N, and C resonance assignments of the intrinsically disordered SH4 and Unique domains of Hck. Biomolecular Nmr Assignments
Jiang W, Thirman J, Jo S, et al. (2018) Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis. The Journal of Physical Chemistry. B
Meng Y, Ahuja LG, Kornev AP, et al. (2018) Corrigendum to "A Catalytically-Disabled Double Mutant of Src Tyrosine Kinase Can Be Stabilized into an Active-Like Conformation." J. Mol. Biol. 430(6) (Mar 16 2018), 881-889. Journal of Molecular Biology
Radak BK, Suh D, Roux B. (2018) A generalized linear response framework for expanded ensemble and replica exchange simulations. The Journal of Chemical Physics. 149: 072315
Villa F, MacKerell AD, Roux B, et al. (2018) Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg. The Journal of Physical Chemistry. A
Aleksandrov A, Lin FY, Roux B, et al. (2018) Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model. Journal of Computational Chemistry
Boulanger E, Huang L, Rupakheti C, et al. (2018) Optimized Lennard-Jones Parameters for Drug-Like Small Molecules. Journal of Chemical Theory and Computation
Lin FY, Lopes PE, Harder ED, et al. (2018) Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator. Journal of Chemical Information and Modeling
Meng Y, Gao C, Clawson DK, et al. (2018) Predicting the Conformational Variability of Abl tyrosine kinase using Molecular Dynamics Simulations and Markov State Models. Journal of Chemical Theory and Computation
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