Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations. - Iffat Habib; Tahir Ali Chohan; Talha Ali Chohan; Fakhra Batool; Umair Khurshid; Anjum Khursheed; Ali Raza; Mukhtar Ansari; Arshad Hussain; Sirajudheen Anwar; Nasser A. Awadh Ali; Hammad Saleem (Comput. Biol. Chem., 2024)

Targeting quorum sensing in Pseudomonas aeruginosa with high-affinity inhibitors: A high-throughput screening and in-silico analysis. - Sidra Abbas; Shama Mujawar; Azra Yasmin; Shaghufta Perveen; Parvez Azam Malik; Muhammad Shoaib Ali Gill; Tahir Ali Chohan (Comput. Biol. Chem., 2025)