Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development. - Sk. Abdul Amin; Plaban Bhattacharya; Souvik Basak; Shovanlal Gayen; Ashis Nandy; Achintya Saha (Comput. Biol. Chem., 2017)

A fragment-based structural analysis of MMP-2 inhibitors in search of meaningful structural fragments. - Suvankar Banerjee; Sk. Abdul Amin; Tarun Jha (Comput. Biol. Medicine, 2022)

Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach. - Subham Dawn; Prabir Manna; Totan Das; Prabhat Kumar; Moumita Ray; Shovanlal Gayen; Sk. Abdul Amin (Comput. Biol. Chem., 2024)

Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectives. - Samima Khatun; Rinki Prasad Bhagat; Sk. Abdul Amin; Tarun Jha; Shovanlal Gayen (Comput. Biol. Medicine, 2024)

Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme. - Priyanka Solanki; Sk. Abdul Amin; Anu Manhas (Comput. Biol. Medicine, 2025)