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Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization

A strategy in drug design is to consider enhancing the affinity of lead molecules with structural modifications that displace water molecules from a protein binding site. Because success of the approach is uncertain, clarification of the associated energetics was sought in cases where similar struct...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Michel, Julien, Tirado-Rives, Julian, Jorgensen, William L.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2009
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC2783447/
https://ncbi.nlm.nih.gov/pubmed/19778066
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja906058w
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