Christopher Chipot

2019

Abhishek Singharoy, Christopher Maffeo, Karelia H. Delgado-Magnero, David J.K. Swainsbury, Melih Sener, Ulrich Kleinekathöfer, John W. Vant, Jonathan Nguyen, Andrew Hitchcock, Barry Isralewitz, Ivan Teo, Danielle E. Chandler, John E. Stone, James C. Phillips, Taras V. Pogorelov, M. Ilaria Mallus, Christophe Chipot, Zaida Luthey-Schulten, D. Peter Tieleman, C. Neil Hunter, Emad Tajkhorshid, Aleksei Aksimentiev, and Klaus Schulten (2019): Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism, Cell, Elsevier B.V., Vol 179, Num 5, pp1098-1111.e23

2017

Jeffrey Comer, Klaus Schulten, and Christophe Chipot (2017): Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles, Journal of Chemical Theory and Computation, American Chemical Society, Vol 13, Num 6, pp2523-2532
Haohao Fu, Wensheng Cai, Jérôme Hénin, Benoît Roux, and Christophe Chipot (2017): New Coarse Variables for the Accurate Determination of Standard Binding Free Energies, Journal of Chemical Theory and Computation, American Chemical Society, Vol 13, Num 11, pp5173-5178
Brian K. Radak, Christophe Chipot, Donghyuk Suh, Sunhwan Jo, Wei Jiang, James C. Phillips, Klaus Schulten, and Benoît Roux (2017): Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems, Journal of Chemical Theory and Computation, American Chemical Society, Vol 13, Num 12, pp5933-5944

2016

Sunhwan Jo, Donghyuk Suh, Ziwei He, Christophe Chipot, and Benoît Roux (2016): Leveraging the Information from Markov State Models To Improve the Convergence of Umbrella Sampling Simulations, Journal of Physical Chemistry B, American Chemical Society, Vol 120, Num 33, pp8733-8742
Christophe Chipot and Jeffrey Comer (2016): Subdiffusion in Membrane Permeation of Small Molecules, Scientific Reports, Springer Nature Limited, Vol 6, Num 1, pp35913

2016

Christopher Chipot (2016): Improving The Accuracy of Drug-Permeability Calculations, 2016 Blue Waters Annual Report, pp198-199