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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

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