Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques

Ge Yunhui(Temple University), David L. Mobley(University of California, Irvine), Marley L. Samways(University of Southampton), David C. Wych(Los Alamos National Laboratory), Jonathan W. Essex(University of Portsmouth), Michael E. Wall(Los Alamos National Laboratory)
Journal of Chemical Theory and Computation
February 11, 2022
Cited by 41


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