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3 results in Keywords: SILCS

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

167

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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

444

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Biological and Medicinal Chemistry

Mapping the Distribution and Affinities of Ligand Interaction Sites on Human Serum Albumin

Asuka Orr, Agbo-oma Uwakweh, Xun Li, Ahmad Karanji, Stephen Hoag, Daniel Deredge, Alexander MacKerell

Version 2 posted 13 March 2025

242

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