Standout Papers

The calculation of the potential of mean force using computer simulations 1994 2026 2004 2015 1.4k
  1. The calculation of the potential of mean force using computer simulations (1995)
    Benoı̂t Roux Computer Physics Communications
  2. Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations (1994)
    Dmitrii Beglov, Benoı̂t Roux The Journal of Chemical Physics
  3. Extension to the weighted histogram analysis method: combining umbrella sampling with free energy calculations (2001)
    Marc Souaille, Benoı̂t Roux Computer Physics Communications
  4. Implicit solvent models (1999)
    Benoı̂t Roux, Thomas Simonson Biophysical Chemistry
  5. Energetics of ion conduction through the K+ channel (2001)
    Simon Bernèche, Benoı̂t Roux Nature
  6. A simple polarizable model of water based on classical Drude oscillators (2003)
    Guillaume Lamoureux, Alexander D. MacKerell et al. The Journal of Chemical Physics
  7. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm (2003)
    Guillaume Lamoureux, Benoı̂t Roux The Journal of Chemical Physics
  8. A polarizable model of water for molecular dynamics simulations of biomolecules (2005)
    Guillaume Lamoureux, Edward Harder et al. Chemical Physics Letters
  9. Calculation of absolute protein–ligand binding free energy from computer simulations (2005)
    Hyung‐June Woo, Benoı̂t Roux Proceedings of the National Academy of Sciences
  10. An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications (2016)
    Justin A. Lemkul, Jing Huang et al. Chemical Reviews
  11. Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields (2019)
    Dmitry Bedrov, Jean‐Philip Piquemal et al. Chemical Reviews
  12. The Cavity and Pore Helices in the KcsA K + Channel: Electrostatic Stabilization of Monovalent Cations (1999)
    Benoı̂t Roux, Roderick MacKinnon Science

Immediate Impact

25 by Nobel laureates 57 from Science/Nature 80 standout
Sub-graph 1 of 16

Citing Papers

Extreme dynamics in a biomolecular condensate
2023 StandoutNature
Solvation sheath reorganization enables divalent metal batteries with fast interfacial charge transfer kinetics
2021 StandoutScience
14 intermediate papers

Works of Benoı̂t Roux being referenced

Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
2012
Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations
1994 Standout
and 15 more

Author Peers

Author Last Decade Papers Cites
Benoı̂t Roux 27171 10914 5398 6407 438 39.2k
Alexander D. MacKerell 38159 10636 5347 8956 468 56.1k
Erik Lindahl 39790 8932 4611 11671 185 69.0k
Jeremy C. Smith 31235 5627 3655 7665 818 56.8k
Lee G. Pedersen 28653 7742 4088 8517 222 49.3k
Barry Honig 37023 6852 4107 8921 346 50.5k
J. Andrew McCammon 50018 12592 6361 13489 834 70.4k
David van der Spoel 31219 10236 5376 12061 162 60.0k
Charles L. Brooks 29291 8004 4469 10284 413 39.3k
Jayaraman Chandrasekhar 21558 11745 5529 9075 178 46.3k
David A. Case 51383 10509 8256 14604 332 79.2k

All Works

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2026