Chris Chipot
Chris Chipot
University of Lorraine — University of Illinois, Urbana-Champaign
Verified email at - Homepage
Cited by
Cited by
Scalable molecular dynamics with NAMD
JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ...
Journal of computational chemistry 26 (16), 1781-1802, 2005
Free energy calculations
C Chipot, A Pohorille
Springer-Verlag Berlin Heidelberg, 2007
Good practices in free-energy calculations
A Pohorille, C Jarzynski, C Chipot
The Journal of Physical Chemistry B 114 (32), 10235-10253, 2010
Overcoming free energy barriers using unconstrained molecular dynamics simulations
J Hénin, C Chipot
The Journal of chemical physics 121 (7), 2904-2914, 2004
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
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
C Chipot, R Jaffe, B Maigret, DA Pearlman, PA Kollman
Journal of the American Chemical Society 118 (45), 11217-11224, 1996
Exploring multidimensional free energy landscapes using time-dependent biases on collective variables
J Henin, G Fiorin, C Chipot, ML Klein
Journal of chemical theory and computation 6 (1), 35-47, 2010
The development/application of a ‘minimalist’ organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data
PA Kollman, R Dixon, W Cornell, T Fox, C Chipot, A Pohorille
Computer Simulations of Biomolecular Systems, 83-96, 1997
Standard binding free energies from computer simulations: What is the best strategy?
JC Gumbart, B Roux, C Chipot
Journal of chemical theory and computation 9 (1), 794-802, 2013
The adaptive biasing force method: Everything you always wanted to know but were afraid to ask
J Comer, JC Gumbart, J Hénin, T Lelièvre, A Pohorille, C Chipot
The Journal of Physical Chemistry B 119 (3), 1129-1151, 2015
Cation− π interactions in proteins: can simple models provide an accurate description?
H Minoux, C Chipot
Journal of the American Chemical Society 121 (44), 10366-10372, 1999
Insights into the recognition and association of transmembrane α-helices. The free energy of α-helix dimerization in glycophorin A
J Hénin, A Pohorille, C Chipot
Journal of the American Chemical Society 127 (23), 8478-8484, 2005
NMR structure and ion channel activity of the p7 protein from hepatitis C virus
R Montserret, N Saint, C Vanbelle, AG Salvay, JP Simorre, C Ebel, ...
Journal of Biological Chemistry 285 (41), 31446-31461, 2010
Efficient determination of protein–protein standard binding free energies from first principles
JC Gumbart, B Roux, C Chipot
Journal of chemical theory and computation 9 (8), 3789-3798, 2013
Frontiers in free‐energy calculations of biological systems
C Chipot
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 71-89, 2014
Free energy calculations. The long and winding gilded road
C Chipot, DA Pearlman
Molecular Simulation 28 (1-2), 1-12, 2002
Exploring the free-energy landscape of a short peptide using an average force
C Chipot, J Hénin
The Journal of chemical physics 123 (24), 244906, 2005
Theory and applications in chemistry and biology
FE Calculations
Chipot, C., Pohorille, A., Eds, 2007
Simulation-based approaches for determining membrane permeability of small compounds
CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ...
Journal of chemical information and modeling 56 (4), 721-733, 2016
A toolkit for the analysis of free-energy perturbation calculations
P Liu, F Dehez, W Cai, C Chipot
Journal of chemical theory and computation 8 (8), 2606-2616, 2012
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