Sotabase

Career

· Professor, Université de Montpellier2002–
· Maître De Conférences, Université Montpellier 21992–2002
· Researcher, Xerox1989–1992
· Phd, Computer Science, Université Pierre et Marie Curie (Paris VI)1986–1989
· PHD Student, Université Pierre et Marie Curie (Paris VI)1986–1989
· Master's degree, Informatique, Université Pierre et Marie Curie (Paris VI)1983–1985

Publications (285)

Scalable molecular dynamics with NAMD
Journal of Computational Chemistry · 2005
16,203
cited
Scalable molecular dynamics on CPU and GPU architectures with NAMD.
Journal of Chemical Physics · 2020
2,402
cited
Good practices in free-energy calculations.
Journal of Physical Chemistry B · 2010
573
cited
Free energy calculations : theory and applications in chemistry and biology
2007
479
cited
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
Journal of Physical Chemistry B · 2014
414
cited
Overcoming free energy barriers using unconstrained molecular dynamics simulations.
Journal of Chemical Physics · 2004
412
cited
Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.
Journal of Chemical Theory and Computation · 2010
381
cited
Standard binding free energies from computer simulations: What is the best strategy?
Journal of Chemical Theory and Computation · 2013
307
cited
Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous Solution
1996
233
cited
The development/application of a ‘minimalist’ organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data
1997
215
cited
Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds
Journal of Chemical Information and Modeling · 2016
190
cited
Efficient determination of protein-protein standard binding free energies from first principles.
Journal of Chemical Theory and Computation · 2013
187
cited
A Toolkit for the Analysis of Free-Energy Perturbation Calculations.
Journal of Chemical Theory and Computation · 2012
174
cited
Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
Journal of Chemical Theory and Computation · 2017
159
cited
Frontiers in free‐energy calculations of biological systems
2014
159
cited
NMR Structure and Ion Channel Activity of the p7 Protein from Hepatitis C Virus*
Journal of Biological Chemistry · 2010
143
cited
Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies
Chemical Reviews · 2018
143
cited
Cation−π Interactions in Proteins: Can Simple Models Provide an Accurate Description?
1999
137
cited
Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism
Cell · 2019
135
cited
Conformational transitions of the serotonin 5-HT3 receptor
Nature · 2018
133
cited
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Christophe Chipot | Researcher Profile | Sotabase | Sotabase