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Updated: Feb 14, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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マルチスケールアロステリックメカニズムを解き放つ:薬物発見のための高度な計算戦略

Ruidi Zhu1,2, Chengwei Wu2, Mingyu Li2

  • 1Artificial Intelligence Clinical Research Center for Drug Discovery, Shanghai Key Laboratory of Flexible Medical Robotics, Tongren Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai, China.

Medicinal research reviews
|February 13, 2026
PubMed
まとめ

コンピューティングの方法は,タンパク質の多層アロステリックメカニズムの研究を進めています. この研究は,アロステリック部位を特定し,薬剤耐性を克服するために,薬物発見におけるそれらの使用を強調しています.

キーワード:
アロステリックカップリングアロステリックの調節アロステリー (allostery) とはコンピューティングの方法論機械学習 (Machine Learning) とは,機械学習 (Machine Learning) とは,機械学習 (Machine Learning) と呼ばれるものです.

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