A Hybrid Energy-Based and AI-Based Screening Approach for the Discovery of Novel Inhibitors of AXL

Xinting Lv,Youkun Kang, Xinglong Chi,Jingyi Zhao,Zhichao Pan, Xiaojun Ying, Long Li,Youlu Pan,Wenhai Huang, Linjun Wang

ACS MEDICINAL CHEMISTRY LETTERS（2025）

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AXL,Virtual screening,Bioactivity evaluation,Molecular dynamics,Geometric deep learning

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