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EMBM – a New Enzyme Mechanism Based Method for Rational Design of Chemical Sites of Covalent Inhibitors
We introduce an enzyme mechanism-based method, EMBM, aimed at rational design of chemical sites, CS, of reaction coordinate analog inhibitors. The energy of valence reorganization of CS, caused by the formation of the enzyme-inhibitor covalent complex, is accounted for by new covalent descriptors W1...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3010454/ https://ncbi.nlm.nih.gov/pubmed/21090595 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100330y |
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