Open access
Jul 2026
Machine Learning-Driven Discovery of Novel HER2 Inhibitors Through Integrated Virtual Screening and Molecular Dynamics Simulations
These findings support further in vitro and in vivo testing for developing new therapeutics against HER2-overexpressing breast cancer, highlighting two scaffolds with promising lead optimization potential.
Alhumaidi B. Alabbas, Safar M. Alqahtani
· Pharmaceuticals · 0 citations