Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations.
Iffat HabibTahir Ali ChohanTalha Ali ChohanFakhra BatoolUmair KhurshidAnjum KhursheedAli RazaMukhtar AnsariArshad HussainSirajudheen AnwarNasser A. Awadh AliHammad SaleemPublished in: Comput. Biol. Chem. (2024)