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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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2 results in Keywords: SILCS

Theoretical and Computational Chemistry

Modeling Ligand Binding Site Water Networks with Site-Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities

Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D. MacKerell

Version 2 posted 09 September 2024

305

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Biological and Medicinal Chemistry

Detection of Putative Ligand Dissociation Pathways in Proteins using Site-Identification by Ligand Competitive Saturation

Wenbo Yu, David Weber, Alex MacKerell

Version 1 posted 07 October 2024

84

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