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Updated: Jun 21, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
09:42

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

亜鉛フォスフォトトリエステラーゼにおける活性部位に結合したパラオクソンとサリンの移動性は,分子ダイナミクスシミュレーションと量子化学計算による

J Koca1, C G Zhan, R C Rittenhouse

  • 1Contribution from the Pacific Northwest National Laboratory, Battelle-Northwest, Environmental Technology Division, Mailstop K2-21, Richland, Washington 99352, USA.

Journal of the American Chemical Society
|July 18, 2001
PubMed
まとめ

フォスフォートリエステラーゼ (PTE) 活性部位の金属イオンは,基板のフォスフォリル酸素と強く連携し,以前の構造データと矛盾しています. 分子ダイナミクスと量子力学は,基板結合時に重要な活性部位構造変化を明らかにします.

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