AI-Powered Virtual Screening Uncovers Potent New Dual CDK4/6 Cancer Inhibitor
A team of researchers in China has combined machine learning, molecular docking and molecular dynamics simulations into a single computational pipeline that can sift through tens of thousands of chemical compounds and pull out a handful of genuinely promising cancer drug candidates. Writing in the journal Molecular Diversity, the group led by Yihui Jiang of […]
