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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Detalles Bibliográficos
Autores principales: Chen, Xi, Schwartz, Steven D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7496013/
https://www.ncbi.nlm.nih.gov/pubmed/32954200
http://dx.doi.org/10.1021/acsomega.0c03472

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7496013/
https://www.ncbi.nlm.nih.gov/pubmed/32954200
http://dx.doi.org/10.1021/acsomega.0c03472

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