Theo dõi
Chris Chipot
Chris Chipot
University of Lorraine — University of Illinois, Urbana-Champaign
Email được xác minh tại Univ-Lorraine.fr - Trang chủ
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
193722005
Scalable molecular dynamics on CPU and GPU architectures with NAMD
JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ...
The Journal of chemical physics 153 (4), 044130, 2020
24472020
Free energy calculations
C Chipot, A Pohorille
Springer-Verlag Berlin Heidelberg, 2007
14152007
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1128*1998
Good practices in free-energy calculations
A Pohorille, C Jarzynski, C Chipot
The Journal of Physical Chemistry B 114 (32), 10235-10253, 2010
7112010
Overcoming free energy barriers using unconstrained molecular dynamics simulations
J Hénin, C Chipot
The Journal of chemical physics 121 (7), 2904-2914, 2004
5582004
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
5122015
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
4652010
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
4111996
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
3792013
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
354*1997
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
2431999
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
2322016
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
2262013
Frontiers in free‐energy calculations of biological systems
C Chipot
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 71-89, 2014
1962014
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
1902012
Constant-pH molecular dynamics simulations for large biomolecular systems
BK Radak, C Chipot, D Suh, S Jo, W Jiang, JC Phillips, K Schulten, ...
Journal of chemical theory and computation 13 (12), 5933-5944, 2017
1862017
Perturbations of native membrane protein structure in alkyl phosphocholine detergents: a critical assessment of NMR and biophysical studies
C Chipot, F Dehez, JR Schnell, N Zitzmann, E Pebay-Peyroula, LJ Catoire, ...
Chemical reviews 118 (7), 3559-3607, 2018
1822018
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
1752010
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
1722005
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