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Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

In this review, we present important, recent developments in the computational prediction of cytochrome P450 (CYP) metabolism in the context of drug discovery. We discuss in silico models for the various aspects of CYP metabolism prediction, including CYP substrate and inhibitor predictors, site of...

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Detalhes bibliográficos
Publicado no:Chem Biol Drug Des
Main Authors: Tyzack, Jonathan D., Kirchmair, Johannes
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6590657/
https://ncbi.nlm.nih.gov/pubmed/30471192
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.13445
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