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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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ペプチド-タンパク質ドッキングのための現在のコンピューティングツールのレビュー

Fábio G Martins1, Hélder A Santos2, Sérgio F Sousa1,3

  • 1Department of Biomedicine, Faculty of Medicine, LAQV/REQUIMTE, BioSIM, University of Porto, Porto, Portugal.

Journal of computational chemistry
|February 13, 2026
PubMed
まとめ

このレビューは,計算機生化学と薬物発見のためのペプチド-タンパク質ドッキングプログラムを詳細に説明します. 14の専用ツール,サポートソフトウェア,AIの代替案をカバーし,研究者が最適なドッキングソリューションを選択するのに役立ちます.

キーワード:
ドラッグ・ディスカバリー・ドッグ・ディスカバリー (Drug Discovery) とは分子ドッキングドッキングです.分子モデリングの分子モデリングペプチドセラピュティクス ペプチドセラピュティクスペプチドはペプチドである.ペプチド・タンパク質・ドッキングタンパク質・リガンドモデリング構造ベースの薬物設計

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