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Ligand design by targeting a binding site water

Solvent reorganization is a major driving force of protein–ligand association, but the contribution of binding site waters to ligand affinity is poorly understood. We investigated how altered interactions with a water network can influence ligand binding to a receptor. A series of ligands of the A(2...

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Detalles Bibliográficos
Autores principales: Matricon, Pierre, Suresh, R. Rama, Gao, Zhan-Guo, Panel, Nicolas, Jacobson, Kenneth A., Carlsson, Jens
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179138/
https://www.ncbi.nlm.nih.gov/pubmed/34163862
http://dx.doi.org/10.1039/d0sc04938g