Discovery of potent ALK tyrosine kinase inhibitors for thyroid cancer via machine learning modeling, molecular docking, MD simulations, and DFT study. - Anjum, Muhammad Naveed; Nadeem, Sumaira; Al-Amin, Md.; Saalim, Muhammad; Siddique, Farhan; Afzal, Samina; Nisar, Nida (Computational Biology & Chemistry, 2026)