Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins

[Image: see text] Redox potentials have been calculated for 12 different iron–sulfur sites of 6 different types with 1–4 iron ions. Structures were optimized with combined quantum mechanical and molecular mechanical (QM/MM) methods, and the redox potentials were calculated using the QM/MM energies,...

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Detalles Bibliográficos
Autores principales: Jafari, Sonia, Tavares Santos, Yakini A., Bergmann, Justin, Irani, Mehdi, Ryde, Ulf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9044450/
https://www.ncbi.nlm.nih.gov/pubmed/35403427
http://dx.doi.org/10.1021/acs.inorgchem.1c03422

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9044450/
https://www.ncbi.nlm.nih.gov/pubmed/35403427
http://dx.doi.org/10.1021/acs.inorgchem.1c03422

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