QM/MM Modeling of the Flavin Functionalization in the RutA Monooxygenase

Oxygenase activity of the flavin-dependent enzyme RutA is commonly associated with the formation of flavin-oxygen adducts in the enzyme active site. We report the results of quantum mechanics/molecular mechanics (QM/MM) modeling of possible reaction pathways initiated by various triplet state comple...

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Detalles Bibliográficos
Autores principales: Grigorenko, Bella, Domratcheva, Tatiana, Nemukhin, Alexander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005588/
https://www.ncbi.nlm.nih.gov/pubmed/36903648
http://dx.doi.org/10.3390/molecules28052405

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005588/
https://www.ncbi.nlm.nih.gov/pubmed/36903648
http://dx.doi.org/10.3390/molecules28052405

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