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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...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | 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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