"Can Free Energy Perturbation Simulations Coupled with Replica-Exchange ..."

Christopher Lockhart et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C00631

access: closed

type: Journal Article

metadata version: 2024-08-04

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Christopher Lockhart, Xingyu Luo, Audrey Olson, Bryan M. Delfing, Xavier E. Laracuente, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Dmitri K. Klimov:
Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites? J. Chem. Inf. Model. 63(15): 4791-4802 (2023)

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