関連する実験動画

Updated: Sep 9, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

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

Published on: June 20, 2025

521

厳格なドッキングを超えて,完全に柔軟なタンパク質-リガンド相互作用のためのディープラーニングアプローチ

John Lee1, Canh Hao Nguyen1, Hiroshi Mamitsuka1

  • 1Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji 611-0011, Japan.

Briefings in bioinformatics
|September 3, 2025
PubMed
まとめ

ディープラーニング (DL) は 薬剤発見のための分子ドッキングに革命を起こし,より迅速で正確な予測を提供します. 新しいモデルは,現実的なバイオ分子相互作用分析のためのタンパク質の柔軟性を組み込むことによって,制限に対処します.

キーワード:
コフォールディング拡散モデル柔軟なドッキング分子ドッキングタンパク質とリガンドの相互作用

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