DFT modeling of the first step of plastoquinol oxidation by the iron–sulfur protein of the cytochrome b6f complexстатья
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Дата последнего поиска статьи во внешних источниках: 10 августа 2018 г.
Аннотация:DFT analysis of several models for 2,3,5-trimethylbenzoquinol oxidation in the catalytic center of the cytochrome b6 f complex, consisting of the [Fe2S2] cluster and its surroundings, has been performed. The comparison of optimized structures with different numbers (14–20) of fixed internal coordinates allowed us to find an optimal model close to the crystal structure.