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B

Benoı̂t Roux

university of chicago

128H-index
722Paper Count
7.7WCitation Count
Published Papers 362
Publication Date
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Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B
errThe Journal of Physical Chemistry B
IF2.9
err2026-06-18
err0
errOAAI
errChristophe Chipot; Jiali Gao; Benoît Roux; Ali A. Hassanali; Barbara Kirchner; Joan-Emma Shea
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errSave
Mechanistic Insight into Conformational Control of Enzyme Activity by Genetically Encoded Metal-Responsive Switches
errChemBioChem
IF2.8
err2026-04-24
err0
errOAAI
errPayal; Jonathan Thirman; Katherine A. Edmonds; Sandip Mishra; Nathan Blackwell; Yasmine S. Zubi; Benoît Roux; Jared C. Lewis
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errSave
An Expanded Markov State Model–Transition Path Theory Framework for Ion Conduction Reactive Pathways through Membrane Channels
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-03
err0
PREAI
errRamon Mendoza Uriarte; Benoît Roux
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Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes
errJournal of the American Chemical Society
IF15.6
err2026-03-16
err0
PREAI
errPratyasha Chakraborty; Anthony Carlos; Trayder Thomas; Kyle Ghaby; Shaghayegh Fathi; Mukta Sharma; Ngoc Kim Nguyen; Mason Farmwald; Lydia Blachowicz; Emma Alcyone; Keira Harter; Shaopeng Yu; Kavya Smitha Pillai; Benoît Roux; Raymond E. Moellering
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errSave
Force Field Sensitivity of Ion Occupancy in Potassium Channels
errBiophysical Journal
IF3.1
err2025-12-04
err0
errOAAI
errRamon Mendoza Uriarte; Benoît Roux
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errSave
GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-01
err0
PREAI
errMoe, Sarah; Chipot, Christophe; Roux, Benoit
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The Dawn of Alchemical Free-Energy Methods in Biomolecular Simulations
errThe Journal of Physical Chemistry B
IF2.9
err2025-11-21
err0
PREAI
errDaniele Macuglia; Giovanni Ciccotti; Benoît Roux
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Simulating Biomolecules with the Variable Protonation State: A Tutorial for Constant-pH Molecular Dynamics in NAMD
errThe Journal of Physical Chemistry B
IF0
err2025-08-04
err0
PREAI
errSarah Moe; Brian K. Radak; Christophe Chipot; Benoît Roux
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Membrane Permeability of Sucrose Calculated from Equilibrium Time-Correlation Functions Using Molecular Dynamics Simulations with Enhanced Sampling
errThe Journal of Physical Chemistry B
IF0
err2025-07-04
err0
PREAI
errJonathan Harris; Benoît Roux
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Iterative variational learning of committor-consistent transition pathways using artificial neural networks
errNature Computational Science
IF18.3
err2025-06-30
err0
PREAI
errAlberto Megías; Sergio Contreras Arredondo; Cheng Giuseppe Chen; Chenyu Tang; Benoît Roux; Christophe Chipot
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Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoir
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-11-18
err0
PREAI
errSzczepaniak, Florence; Dehez, Francois; Roux, Benoit
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Isoleucine gate blocks K+ conduction in C-type inactivation
errELIFE
IF0
err2024-11-12
err0
errOAAI
errTreptow, Werner; Liu, Yichen; Bassetto, Carlos A. Z.; Pinto, Bernardo I.; Alves Nunes, Joao Antonio; Mendoza Uriarte, Ramon; Chipot, Christophe J.; Bezanilla, Francisco; Roux, Benoit
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Vibration-induced wall-bubble interactions under zero-gravity conditions
errJOURNAL OF FLUID MECHANICS
IF3.9
err2024-08-27
err0
PREAI
errLyubimov, D. V.; Lyubimova, T. P.; Meradji, S.; Roux, B.
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Computational Investigation of the Covalent Inhibition Mechanism of Bruton's Tyrosine Kinase by Ibrutinib
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-28
err1
PREAI
errBarragan, Angela M.; Ghaby, Kyle; Pond, Matthew P.; Roux, Benoit
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Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP
errNATURE COMMUNICATIONS
IF15.7
err2024-02-15
err2
errOAAI
errGuo, Spencer C.; Shen, Rong; Roux, Benoit; Dinner, Aaron R.
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Classifying Protein-Protein Binding Affinity with Free-Energy Calculations and Machine Learning Approaches
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-25
err2
errOAAI
errde Lacam, Emma Goulard Coderc; Roux, Benoit; Chipot, Christophe
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Probing the formation of a hetero-dimeric membrane transport complex with dual in vitro and in silico mutagenesis
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errRathod, Nishadh; Lemieux, M. Joanne; Chipot, Christophe; Roux, Benoit; Young, Howard S.
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errSave
A Rigorous Framework for Calculating Protein-Protein Binding Affinities in Membranes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-13
err7
PREAI
errBlazhynska, Marharyta; Gumbart, James C.; Chen, Haochuan; Tajkhorshid, Emad; Roux, Benoit; Chipot, Christophe
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A Na pump with reduced stoichiometry is up- regulated by brine shrimp in extreme salinities
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2023-12-11
err4
errOAAI
errArtigas, Pablo; Meyer, Dylan J.; Young, Victoria C.; Spontarelli, Kerri; Eastman, Jessica; Strandquist, Evan; Rui, Huan; Roux, Benoit; Birk, Matthew A.; Nakanishi, Hanayo; Abe, Kazuhiro; Gatto, Craig
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Anionic omega currents from single countercharge mutants in the voltage-sensing domain of Ci-VSP
errJOURNAL OF GENERAL PHYSIOLOGY
IF2.9
err2023-11-29
err3
errOAAI
errShen, Rong; Roux, Benoit; Perozo, Eduardo
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Research Directions

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Co-authors
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