Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins
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DOI: 10.1021/acs.inorgchem.1c03422
Abstract: 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… read more here.
Keywords: potential calculations; benchmark study; redox potentials; redox potential ... See more keywords