Human caveolin-1 a potent inhibitor for prostate cancer therapy: a computational approach. - Uzma Khanam; Balwant Kishan Malik; Puniti Mathur; Bhawna Rathi (Int. J. Comput. Biol. Drug Des., 2019)

GlucoKinaseDB: A comprehensive, curated resource of glucokinase modulators for clinical and molecular research. - Siddharth Yadav; Samuel Bharti; Puniti Mathur (Comput. Biol. Chem., 2023)

In silico design of dehydrophenylalanine containing peptide activators of glucokinase using pharmacophore modelling, molecular dynamics and machine learning: implications in type 2 diabetes. - Siddharth Yadav; Swati Rana; Manish Manish; Sohini Singh; Andrew M. Lynn; Puniti Mathur (J. Comput. Aided Mol. Des., 2025)