Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV. - Ritika Srivastava; Sunil K. Gupta; Farha Naaz; Parth Sarthi Sen Gupta; Madhu Yadav; Vishal Kumar Singh; Anuradha Singh; Malay Kumar Rana; Satish Kumar Gupta; Dominique Schols; Ramendra K. Singh (Comput. Biol. Chem., 2020)

Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery. - Abhik Kumar Ray; Parth Sarthi Sen Gupta; Saroj Kumar Panda; Satyaranjan Biswal; Uddipan Bhattacharya; Malay Kumar Rana (Comput. Biol. Medicine, 2022)

Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity. - Ritika Srivastava; Sunil K. Gupta; Farha Naaz; Parth Sarthi Sen Gupta; Madhu Yadav; Vishal Kumar Singh; Saroj Kumar Panda; Satyaranjan Biswal; Malay Kumar Rana; Satish Kumar Gupta; Dominique Schols; Ramendra K. Singh (Comput. Biol. Chem., 2023)