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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Research Network of Computational and Structural Biotechnology
2022
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| Materias: | |
| 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 |