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) was efficiently selected, which exhibited a significant enhancement in MDCA conversion yield from 32.5% to 80.9% and total turnover number (TTN) from 406.2 to 1617.9. Finally, through a combination of molecular dynamics simulations, the analysis of electron transfer pathway, and the calculations of electron transfer rate, the mechanism of electron transfer was investigated. The applied engineering strategies, high-throughput screening methods, and analytical approaches provide a feasible way to construct an ideal redox partner for other P450 enzymes.
Sun et al. (Wed,) studied this question.