Christophe Chipot
Affiliations: | Université Henri Poincaré, Nancy I |
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Parents
Sign in to add mentor| Jean-Louis Rivail | grad student | ||
| 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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| Blazhynska M, Goulard Coderc de Lacam E, Chen H, et al. (2022) Hazardous Shortcuts in Standard Binding Free Energy Calculations. The Journal of Physical Chemistry Letters. 6250-6258 |
| Moutoussamy EE, Khan HM, Roberts MF, et al. (2022) Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C. Journal of Chemical Information and Modeling |
| Fu H, Chen H, Blazhynska M, et al. (2022) Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations. Nature Protocols |
| Chen H, Ogden D, Pant S, et al. (2022) A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls. Journal of Chemical Theory and Computation |
| Liu H, Fu H, Chipot C, et al. (2021) Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein-Ligand Binding Affinities Dominated by Cation-π Interactions. Journal of Chemical Theory and Computation |
| Chen H, Fu H, Chipot C, et al. (2021) Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential. Journal of Chemical Theory and Computation |
| Fu H, Chen H, Cai W, et al. (2021) BFEE2: Automated, Streamlined, and Accurate Absolute Binding Free-Energy Calculations. Journal of Chemical Information and Modeling |
| Chen H, Maia J, Radak BK, et al. (2020) Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. Journal of Chemical Information and Modeling |
| Phillips JC, Hardy DJ, Maia JDC, et al. (2020) Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of Chemical Physics. 153: 044130 |
| Fu H, Chen H, Wang X, et al. (2020) Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape. Journal of Chemical Information and Modeling |