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Fundamental reaction pathway and free energy profile for proteasome inhibition by syringolin A (SylA)
In this study, molecular dynamics (MD) simulations and first-principles quantum mechanical/molecular mechanical free energy (QM/MM-FE) calculations have been performed to uncover the fundamental reaction pathway of proteasome with a representative inhibitor syringolin A (SylA). The calculated result...
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| Publicado no: | Org Biomol Chem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4472459/ https://ncbi.nlm.nih.gov/pubmed/26018983 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5ob00737b |
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