DFT-based prediction of reactivity of short-chain alcohol dehydrogenase

The reaction mechanism of ketone reduction by short chain dehydrogenase/reductase, (S)-1-phenylethanol dehydrogenase from Aromatoleum aromaticum, was studied with DFT methods using cluster model approach. The characteristics of the hydride transfer process were investigated based on reaction of acet...

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Detalles Bibliográficos
Autores principales: Stawoska, I., Dudzik, A., Wasylewski, M., Jemioła-Rzemińska, M., Skoczowski, A., Strzałka, K., Szaleniec, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5487757/
https://www.ncbi.nlm.nih.gov/pubmed/28550607
http://dx.doi.org/10.1007/s10822-017-0026-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5487757/
https://www.ncbi.nlm.nih.gov/pubmed/28550607
http://dx.doi.org/10.1007/s10822-017-0026-5

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