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Updated: Jun 17, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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GalaxyDock-DL:通过全球优化和神经网络能量进行蛋白质-连接器对接

Changsoo Lee1, Jonghun Won2, Seongok Ryu2

  • 1Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea.

Journal of chemical theory and computation
|August 7, 2024
PubMed
概括

深度学习通过训练基于物理的能量功能来增强蛋白质-连接体对接. 这种新的方法,GalaxyDock-DL,最大限度地减少了过拟合,并改善了用于药物设计的结合亲和力和复杂结构的预测.

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Ligand Binding Sites02:40

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