Benoı T Roux

93PUBLICATIONS

271CO-AUTHORS

Statistical mechanics in chemistryPyrometallurgyIntegrable systems (classical and quantum)Biomolecular modelling and designFormal methods for software

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Publications (93)

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|Jun 18, 2026

Good Practices for Simulation Studies Published in <i>The Journal of Physical Chemistry B</i>.

|Apr 25, 2026

Mechanistic Insight into Conformational Control of Enzyme Activity by Genetically Encoded Metal-Responsive Switches.

|Apr 03, 2026

An Expanded Markov State Model-Transition Path Theory Framework for Ion Conduction Reactive Pathways through Membrane Channels.

Ramon Mendoza Uriarte, Benoît Roux

|Mar 17, 2026

Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes.

Pratyasha Chakraborty, Anthony Carlos, Trayder Thomas

|Feb 10, 2026

A theoretical framework for random acceleration molecular dynamics simulations.

Yiwei Ding, Alessia Ghidini, Pilar Cossio

|Dec 09, 2025

GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD.

Sarah Moe, Christophe Chipot, Benoît Roux

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Frequent Collaborators

24 joint publications

Christophe J Chipot

13 joint publications

Alexander D MacKerell

Wei Jiang

Eduardo Perozo

Haochuan Chen

Joan-Emma Shea

Jared C Lewis

Jing Li

Richard W Pastor

Brian K Radak

Frequent Collaborators

24 joint publications

Christophe J Chipot

13 joint publications

Alexander D MacKerell

4 joint publications

Wei Jiang

4 joint publications

Eduardo Perozo