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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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洞察蛋白质-连接体非共价相互作用网络:一个数据库调查和量子化学计算研究

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
概括

这项研究量化了蛋白质-连接体结合中的非共价相互作用 (NCIs). 它揭示了素键,键,子-π相互作用,π-π相互作用和盐桥之间的协同和对抗作用,指导药物设计.

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