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