関連する実験動画

Updated: Feb 17, 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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NMR誘導ドッキングによる高信頼性タンパク質-リガンド複合体のモデリングにより,早期ヒット最適化が可能

Andrew Proudfoot1, Dirksen E Bussiere1, Andreas Lingel1,2

  • 1Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 5300 Chiron Way, Emeryville, California 94608, United States.

Journal of the American Chemical Society
|December 1, 2017
PubMed
まとめ

この研究は,構造に基づく薬剤設計のための新しいNMR誘導ドッキングプロトコルを導入します. この方法は,高品質のタンパク質-リガンド複合モデルを生成し,薬物の断片の潜在的な最適化を可能にします.

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