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Updated: May 25, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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量子力学/分子力学研究了酶的Baeyer-Villiger反应的机制

Iakov Polyak1, Manfred T Reetz, Walter Thiel

  • 1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany.

Journal of the American Chemical Society
|January 14, 2012
PubMed
概括

这项研究使用量子力学/分子力学来研究环素单氧化酶 (CHMO). QM/MM计算揭示了关键反应步骤以及Arg-329和NADP的作用在CHMO中.

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