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Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin

First-principles quantum mechanical/molecular mechanical free energy calculations have been performed to provide the first detailed computational study on the possible mechanisms for reaction of proteasome with a representative peptide inhibitor, Epoxomicin (EPX). The calculated results reveal that...

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Autores principales: Wei, Donghui, Lei, Beilei, Tang, Mingsheng, Zhan, Chang-Guo
Formato: Artigo
Lenguaje:Inglês
Publicado: 2012
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3399118/
https://ncbi.nlm.nih.gov/pubmed/22697787
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja3006463
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