Christophe Chipot
Affiliations: | Université Henri Poincaré, Nancy I |
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Parents
Sign in to add mentor| Bernard Maigret | grad student | 1991-1994 | Nancy 1 | |
| (Mise au point de potentiels intermoléculaires thermodynamiques pour la simulation du repliement des biopolymères) | ||||
| Peter A. Kollman | post-doc | |||
| Andrew Pohorille | post-doc | |||
Children
Sign in to add trainee| Jérôme Hénin | grad student | 2002-2006 | Université Henri Poincaré, Nancy I |
| Margaret Blazhynska | grad student | 2020-2023 | Université de Lorraine Nancy |
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Publications
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| Fu H, Zhou M, Chipot C, et al. (2024) Overcoming Sampling Issues and Improving Computational Efficiency in Collective-Variable-Based Enhanced-Sampling Simulations: A Tutorial. The Journal of Physical Chemistry. B. 128: 9706-9713 |
| Harris J, Chipot C, Roux B. (2024) Statistical Mechanical Theories of Membrane Permeability. The Journal of Physical Chemistry. B. 128: 9183-9196 |
| Rathod N, Lemieux MJ, Chipot C, et al. (2024) Probing the formation of a hetero-dimeric membrane transport complex with dual and mutagenesis. Chemical Science |
| Blazhynska M, Gumbart JC, Chen H, et al. (2023) A Rigorous Framework for Calculating Protein-Protein Binding Affinities in Membranes. Journal of Chemical Theory and Computation. 19: 9077-9092 |
| Fu H, Chipot C, Shao X, et al. (2023) Standard Binding Free-Energy Calculations: How Far Are We from Automation? The Journal of Physical Chemistry. B |
| Blazhynska M, Goulard Coderc de Lacam E, Chen H, et al. (2023) Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning. Journal of Chemical Theory and Computation |
| Fu H, Chipot C, Shao X, et al. (2023) Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling. Journal of Chemical Information and Modeling. 63: 2512-2519 |
| Chipot C. (2023) Free Energy Methods for the Description of Molecular Processes. Annual Review of Biophysics |
| Chen H, Chipot C. (2022) Enhancing sampling with free-energy calculations. Current Opinion in Structural Biology. 77: 102497 |
| Bignucolo O, Chipot C, Kellenberger S, et al. (2022) Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins. The Journal of Physical Chemistry. B. 126: 6868-6877 |