In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations. - Umesh Panwar; Sanjeev Kumar Singh (Comput. Biol. Chem., 2021)

High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors Against Mac1 Domain of SARS-CoV-2 Nsp3. - Chandrabose Selvaraj; Dhurvas Chandrasekaran Dinesh; Umesh Panwar; Evzen Boura; Sanjeev Kumar Singh (IEEE ACM Trans. Comput. Biol. Bioinform., 2021)