Mechanism of DOPA radical generation and transfer in metal-free class Ie ribonucleotide reductase based on density functional theory

Quantum mechanical/molecular mechanical (QM/MM) calculations were carried out to investigate the mechanisms of the generation, transfer, and regeneration of the DOPA radical for metal-free class Ie ribonucleotide reductase. The crystal structure of MfR2 (Nature, 2018, 563, 416–420) was adopted for t...

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Detalles Bibliográficos
Autores principales: Zou, Jinxin, Chen, Yao, Feng, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8902622/
https://www.ncbi.nlm.nih.gov/pubmed/35317236
http://dx.doi.org/10.1016/j.csbj.2022.02.027

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8902622/
https://www.ncbi.nlm.nih.gov/pubmed/35317236
http://dx.doi.org/10.1016/j.csbj.2022.02.027

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