Quantum chemical investigation of electronic transitions of mitorubrin azaphilones. - Muhammad Saalim; Benjamin R. Clark; Peter R. Taylor (J. Comput. Chem., 2024)

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