Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Modeling Ligand Binding Site Water Networks with Site-Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities
, Authors:
Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D. MacKerell
Version 2 posted 09 September 2024
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