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Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

Human microsomal cytochrome P450 2E1 (CYP2E1) can oxidize not only low molecular weight xenobiotic compounds such as ethanol, but also many endogenous fatty acids. The crystal structure of CYP2E1 in complex with indazole reveals that the active site is deeply buried into the protein center. Thus, th...

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Detalles Bibliográficos
Autores principales:	Shen, Zhonghua, Cheng, Feixiong, Xu, You, Fu, Jing, Xiao, Wen, Shen, Jie, Liu, Guixia, Li, Weihua, Tang, Yun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3307744/ https://www.ncbi.nlm.nih.gov/pubmed/22442693 http://dx.doi.org/10.1371/journal.pone.0033500

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