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Disambiguation of "Gumbart, James C."

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Rapid parameterization of small molecules using the force field toolkit.

, , , , and . J. Comput. Chem., 34 (32): 2757-2770 (2013)

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James C Cornette

James C Russell

Kurt Gumbart

Michael James

Audrein James

 

Other publications of authors with the same name

Membrane thinning and lateral gating are consistent features of BamA across multiple species., and . PLoS Comput. Biol., (2020)Escherichia coli Peptidoglycan Structure and Mechanics as Predicted by Atomic-Scale Simulations., , , and . PLoS Comput. Biol., (2014)Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19., , , , , , , , , and 41 other author(s). J. Chem. Inf. Model., 60 (12): 5832-5852 (2020)A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins., , , , , and . J. Comput. Chem., 41 (6): 528-537 (2020)Rapid parameterization of small molecules using the force field toolkit., , , , and . J. Comput. Chem., 34 (32): 2757-2770 (2013)BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations., , , , , and . J. Chem. Inf. Model., 58 (3): 556-560 (2018)Parametrization of macrolide antibiotics using the force field toolkit., and . J. Comput. Chem., 36 (27): 2052-2063 (2015)Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?, , and . Journal of Chemical Theory and Computation, 9 (1): 794-802 (2013)PMID: 23794960.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)Membrane protein simulations under asymmetric ionic concentrations., , , and . XSEDE, page 16:1. ACM, (2012)