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阿尔法基因酶优化器:通过对基于阿尔法基因酶结构的自动改进来提高虚拟选性能

Sergei Evteev1, Yan Ivanenkov1, Andrew Aiginin2

  • 1Insilico Medicine Hong Kong Ltd., Hong Kong, Pak Shek Kok, Hong Kong.

Proteins
|September 16, 2025
PubMed
概括

AF优化器精制蛋白质结构,用于药物设计. 这种深度学习工具改善了结合部位的几何结构,导致更准确的分子对接和在虚拟查研究中成功识别候选药物.

关键词:
阿尔法折叠是什么意思阿尔法折叠激酶抑制剂 激酶抑制剂机器学习是机器学习.基于结构的药物设计.虚拟选 虚拟选 虚拟选

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