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Ligand configurational entropy and protein binding
The restriction of a small molecule's motion on binding to a protein causes a loss of configurational entropy, and thus a penalty in binding affinity. Some energy models used in computer-aided ligand design neglect this entropic penalty, whereas others account for it based on an expected drop i...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1780070/ https://ncbi.nlm.nih.gov/pubmed/17242351 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0610494104 |
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