'3D-QSAR-based, pharmacophore modelling, virtual screening, and molecular docking studies for identification of hypoxia-inducible factor-1 inhibitor with potential bioactivity. - Piyush Kumar Yadav; Suchitra Singh; Ajay Kumar Singh (Comput. Biol. Medicine, 2023)

3D-QSAR based computational screening of potent ligands against L-type calcium channel (LTCC) protein structure for iron overload in β-thalassemia. - Piyush Kumar Yadav; Krishna Kumar Ojha; Anil Kumar; Ajay Kumar Singh (Comput. Biol. Medicine, 2025)