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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...
Autores principales: | Matricon, Pierre, Suresh, R. Rama, Gao, Zhan-Guo, Panel, Nicolas, Jacobson, Kenneth A., Carlsson, Jens |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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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 |
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