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)

Synthesis, in vitro cytotoxicity, molecular docking and ADME study of some indolin-2-one linked 1, 2, 3-triazole derivatives. - Arnika Das; Giulia Greco; Sujeet Kumar; Elena Catanzaro; Rita Morigi; Alessandra Locatelli; Dominique Schols; Hakan Alici; Hakan Tahtaci; Febina Ravindran; Carmela Fimognari; Subhas S. Karki (Comput. Biol. Chem., 2022)

In silico design, synthesis and anti-HIV activity of quinoline derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs). - Vishal Kumar Singh; Richa Mishra; Priyanka Kumari; Anup Som; Aditya K. Yadav; Nand K. Ram; Pradeep Kumar; Dominique Schols; Ramendra K. Singh (Comput. Biol. Chem., 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)