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Disambiguation of "Chipot, Christophe"

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Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.

, , , , , , , , , , , and . Journal of Chemical Information and Modeling, 56 (4): 721-733 (2016)

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Christophe Maufroy University of Stuttgart

 

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AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations., , and . Journal of Chemical Information and Modeling, 56 (6): 1122-1126 (2016)Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions., , and . Journal of Computational Chemistry, 17 (9): 1112-1131 (1996)Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein., , and . Journal of Computer-Aided Molecular Design, 19 (11): 765-770 (2005)Scalable molecular dynamics with NAMD., , , , , , , , , and . Journal of Computational Chemistry, 26 (16): 1781-1802 (2005)Rational determination of charge distributions for free energy calculations.. Journal of Computational Chemistry, 24 (4): 409-415 (2003)The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels., , , and . PLoS Computational Biology, (2012)MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation., , , , , , and . J. Chem. Inf. Model., 62 (1): 1-8 (2022)Enhanced Sampling of Multidimensional Free-Energy Landscapes Using Adaptive Biasing Forces., and . SIAM Journal of Applied Mathematics, 71 (5): 1673-1695 (2011)Molecular Basis of Drug Resistance in A/H1N1 Virus., , , , , and . Journal of Chemical Information and Modeling, 52 (10): 2650-2656 (2012)Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds., , , , , , , , , and 2 other author(s). Journal of Chemical Information and Modeling, 56 (4): 721-733 (2016)