Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. - Tahir, Muhammad Afaq; Chohan, Tahir Ali; Qayyum, Aisha; Yahya Abdullah Alzahrani, Abdullah; R. Alzahrani, Abdullah; Ur Rehman, Zia; Khan, Abida; Ashfaq, Khuram (PLoS ONE, 2026)