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Updated: Jul 30, 2026

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
09:51

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web

Published on: July 16, 2017

Ab initio QM/MMダイナミクスシミュレーション セリンプロテアゼのテトラヘドル中間体:アクティブサイト水素結合ネットワークの洞察

Maya Topf1, Peter Várnai, W Graham Richards

  • 1Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, OX1 3QZ, United Kingdom. graham.richards@chem.ox.ac.uk

Journal of the American Chemical Society
|December 6, 2002
PubMed
まとめ

量子力学/分子力学シミュレーションでは,セリンプロテアゼ四面体中間体が安定していることが示されています. 鍵となる水素結合は,この構造を安定させ",リングフリップメカニズム"なしにペプチド水解の経路を示唆する.

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