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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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Detaylı Bibliyografya
Asıl Yazarlar: Shen, Zhonghua, Cheng, Feixiong, Xu, You, Fu, Jing, Xiao, Wen, Shen, Jie, Liu, Guixia, Li, Weihua, Tang, Yun
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Public Library of Science 2012
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3307744/
https://ncbi.nlm.nih.gov/pubmed/22442693
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0033500
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