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Updated: Feb 18, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

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タンパク質・リガンド・ノンコヴァレンント相互作用ネットワークの洞察:データベース調査と量子化学計算研究

Ruitong Luo1,2, Zijian Han1,2, Jintian Li1,2

  • 1State Key Laboratory of Drug Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.

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

この研究では,タンパク質-リガンド結合における非共性相互作用 (NCIs) を定量化しています. これは,ハロゲン結合,水素結合,カチオン-π相互作用,π-π相互作用,塩の架け橋の間の相乗効果と対抗効果を明らかにし,薬物の設計を導く.

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An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
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