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Updated: Feb 17, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

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マクロサイクリックリガンドの正確な物理ベースの柔軟なドッキング

Jacob Robson-Tull1, João P G L M Rodrigues1

  • 1Schrodinger New York, 1540 Broadway, 24th Floor, New York, New York 10035, United States.

Journal of medicinal chemistry
|February 16, 2026
PubMed
まとめ

新しいコンピューティングモデリングプロトコルは,マクロサイクルの薬剤発見の精度を高めています. この柔軟なドッキング方法は,マクロサイクル化合物が標的に結合する方法を効果的に予測し,構造ベースの治療開発を改善します.

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