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Updated: Sep 10, 2025

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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CABSドックを使用したタンパク質へのサイクルペプチドの柔軟なドッキング

Mateusz Zalewski1, Aleksandra Badaczewska-Dawid2, Sebastian Kmiecik1

  • 1Biological and Chemical Research Center, Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.

Journal of chemical theory and computation
|August 24, 2025
PubMed
まとめ

CABSドックを使って サイクル・リテインメントとロゼッタ・リファインメントを改良しました この方法は,薬剤発見と構造モデリングを助けるために,近似原生溶液のサンプルを頻繁に採取します.

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Assembly of Signaling Complexes

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