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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: | , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2012
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| Materias: | |
| 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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