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Updated: Jul 27, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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メタンモノオキシゲナーゼによるダイオキシゲン活性化における中間物質:QM/MM研究

David Rinaldo1, Dean M Philipp, Stephen J Lippard

  • 1Department of Chemistry, Columbia University, New York, New York 10027, USA.

Journal of the American Chemical Society
|March 1, 2007
PubMed
まとめ

QM/MMとDFTの方法を用いて,メタンモノオキシゲナーゼ (MMO) の酸化酸素活性化に対するタンパク質効果を調査したところ,中間安定性と反応経路に対する重要なタンパク質の影響が明らかになった. これは,酵素メカニズムを理解する上で計算モデリングの重要性を強調しています.

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