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Multiple Reaction Pathways in the Morphinone Reductase-Catalyzed Hydride Transfer Reaction
[Image: see text] Morphinone reductase (MR) is an important model system for studying the contribution of protein motions to H-transfer reactions. In this research, we used quantum mechanical/molecular mechanics (QM/MM) simulation together with transition path sampling (TPS) simulation to study two...
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| Publicado no: | ACS Omega |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7496013/ https://ncbi.nlm.nih.gov/pubmed/32954200 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c03472 |
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