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Updated: Jan 15, 2026

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

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自动弹性码头:新的分子对接研讨会支持解读蛋白质-连接体相互作用

Zong-Wei Lu1, Jun-Hao Ma1, Wishwajith Kandegama2

  • 1State Key Laboratory of Green Pesticide, International Joint Research Center for Intelligent Biosensor Technology and Health, Central China Normal University, Wuhan 430079, P. R. China.

Journal of agricultural and food chemistry
|October 8, 2025
PubMed
概括

这项研究引入了一种基于多重扭力键 (NTB) 的新策略,以提高结构生物信息学中蛋白质-连接体相互作用 (PLI) 预测的准确性. 开发的AutoFlex-Dock服务器整合了这一策略,以改善药物发现洞察力.

关键词:
药物设计 药物设计这是一个机制机制.分子对接的分子对接.蛋白质 - 配体相互作用扭力债券是一种扭力债券.

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