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Ligand binding to protein-binding pockets with wet and dry regions
Biological processes often depend on protein–ligand binding events, yet accurate calculation of the associated energetics remains as a significant challenge of central importance to structure-based drug design. Recently, we have proposed that the displacement of unfavorable waters by the ligand, rep...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3029693/ https://ncbi.nlm.nih.gov/pubmed/21205906 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1016793108 |
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