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Yu-Xin Wang

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Aug 2026

Harnessing machine learning, docking and molecular dynamics for the virtual screening of compounds as CDK4/6 dual inhibitors.

It is elucidated that HY-18,623 achieves high-affinity binding through persistent hydrogen bonds with hinge residues Val96 (CDK4) and Val101 (CDK6) and Val101 (CDK6) as a promising lead candidate for further therapeutic development in oncology.

Yu-Xin Wang, Lin-Xia Fang, Quan-Fang Liu et al. · Molecular diversity · 0 citations