Benoît Roux

5PUBLICATIONS
31CO-AUTHORS
Electrostatics and electrodynamicsStructure and dynamics of materialsStatistical mechanics in chemistryFormal methods for softwareStochastic analysis and modelling
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Publications (5)

|Mar 16, 2021
Classical molecular dynamics.

Charles L Brooks, David A Case, Steve Plimpton

|Feb 28, 2021
A critical perspective on Markov state model treatments of protein-protein association using coarse-grained simulations.

Ziwei He, Fabian Paul, Benoît Roux

|Sep 23, 2020
Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian.

Chetan Rupakheti, Guillaume Lamoureux, Alexander D MacKerell

|Aug 06, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMD.

James C Phillips, David J Hardy, Julio D C Maia

|Aug 24, 2018
A generalized linear response framework for expanded ensemble and replica exchange simulations.

Brian K Radak, Donghyuk Suh, Benoît Roux

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Frequent Collaborators

2 joint publications

Brian K Radak

2 joint publications

Emad Tajkhorshid

1 joint publications

Donghyuk Suh

1 joint publications

James C Phillips