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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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Detalles Bibliográficos
Autores principales: Tyzack, Jonathan D., Kirchmair, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6590657/
https://www.ncbi.nlm.nih.gov/pubmed/30471192
http://dx.doi.org/10.1111/cbdd.13445