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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Tianyi Liu

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Open access Aug 2026

Virtual screening and MD simulation-guided discovery of CDK12-IN-3, a potent ALK inhibitor suppressing neuroblastoma growth in vitro and in vivo

CDK12-IN-3 is validated as a novel selective ALK inhibitor with potent anti-NB activity, providing a promising lead compound and an efficient dynamic simulation-guided drug repurposing paradigm for overcoming ALK inhibitor resistance in high-risk NB.

Tianyi Liu, Xuejiao Hu, Wenxin Yan et al. · 0 citations

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