In-silico approach to investigate death domains associated with nano-particle-mediated cellular responses. - Hussaina Banu; Maria Christina Joseph; Mokashi Nida Nisar (Comput. Biol. Chem., 2018)

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)