What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Enzyme
- Gene
His scientific interests lie mostly in Molecular dynamics, Ion, Chemical physics, Solvation and KcsA potassium channel.
His Molecular dynamics research is classified as research in Computational chemistry.
As a member of one scientific family, he mostly works in the field of Ion, focusing on Brownian dynamics and, on occasion, Charge density.
His studies deal with areas such as Conductance, Membrane and Analytical chemistry as well as Chemical physics.
Benoît Roux has researched Solvation in several fields, including Electrostatics and Boltzmann equation, Thermodynamics.
His KcsA potassium channel study integrates concerns from other disciplines, such as Protein structure, Biophysics, Potassium channel and Stereochemistry.
His most cited work include:
- All-atom empirical potential for molecular modeling and dynamics studies of proteins. (10375 citations)
- CHARMM: the biomolecular simulation program. (4881 citations)
- The calculation of the potential of mean force using computer simulations (1133 citations)
What are the main themes of his work throughout his whole career to date?
Molecular dynamics, Ion, Chemical physics, Crystallography and Biophysics are his primary areas of study.
As part of one scientific family, Benoît Roux deals mainly with the area of Molecular dynamics, narrowing it down to issues related to the Polarizability, and often Force field.
His Ion study also includes fields such as
- KcsA potassium channel and related Potassium channel,
- Ion channel that intertwine with fields like Membrane potential.
Benoît Roux interconnects Ionic bonding and Gramicidin in the investigation of issues within Chemical physics.
His Crystallography research focuses on Lipid bilayer and how it connects with Bilayer.
His Solvation research focuses on subjects like Thermodynamics, which are linked to Physical chemistry.
He most often published in these fields:
- Molecular dynamics (49.92%)
- Ion (23.16%)
- Chemical physics (21.70%)
What were the highlights of his more recent work (between 2016-2021)?
- Molecular dynamics (49.92%)
- Biophysics (19.25%)
- Chemical physics (21.70%)
In recent papers he was focusing on the following fields of study:
Benoît Roux mostly deals with Molecular dynamics, Biophysics, Chemical physics, Polarizability and Force field.
His research in Molecular dynamics intersects with topics in Ion, Membrane, Molecule and KcsA potassium channel.
The concepts of his KcsA potassium channel study are interwoven with issues in Crystallography and Gating.
His Biophysics study combines topics from a wide range of disciplines, such as SERCA, Kinase and Phosphorylation.
His study on Chemical physics also encompasses disciplines like
- Ionic bonding, which have a strong connection to Computational chemistry,
- Phase and Isotropy most often made with reference to Liquid crystal.
His study in Polarizability is interdisciplinary in nature, drawing from both Force field, Classical mechanics, Molecular physics, Ionic liquid and Side chain.
Between 2016 and 2021, his most popular works were:
- Scalable molecular dynamics on CPU and GPU architectures with NAMD. (122 citations)
- Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields. (87 citations)
- CHARMM‐GUI 10 years for biomolecular modeling and simulation (75 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Enzyme
- Gene
His primary areas of study are Molecular dynamics, Force field, Chemical physics, Molecule and Statistical physics.
His work deals with themes such as Ion, Crystallography, Biophysics and KcsA potassium channel, which intersect with Molecular dynamics.
His Ion research includes themes of Cationic polymerization and Macromolecule.
His Force field research includes elements of Canonical ensemble, Ab initio, Polarizability and Organic molecules.
Benoît Roux has included themes like Isotropy, Computational chemistry and Liquid crystal in his Molecule study.
His Statistical physics research incorporates themes from Theoretical computer science, Potential of mean force, Binding free energy and Reproducibility.
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