| Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin PSS Gupta, S Biswal, SK Panda, AK Ray, MK Rana Journal of Biomolecular Structure and Dynamics 38 (1), 2020 | 67* | 2020 |
| Computer-aided discovery of bis-indole derivatives as multi-target drugs against cancer and bacterial infections: DFT, docking, virtual screening, and molecular dynamics studies PSS Gupta, HR Bhat, S Biswal, MK Rana Journal of Molecular Liquids 320, 114375, 2020 | 50 | 2020 |
| ACE-2-derived biomimetic peptides for the inhibition of spike protein of SARS-CoV-2 SK Panda, PS Sen Gupta, S Biswal, AK Ray, MK Rana Journal of Proteome Research 20 (2), 1296-1303, 2021 | 48 | 2021 |
| Salt-bridge energetics in halophilic proteins A Nayek, PS Sen Gupta, S Banerjee, B Mondal, AK Bandyopadhyay Plos one 9 (4), e93862, 2014 | 47 | 2014 |
| Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery AK Ray, PSS Gupta, SK Panda, S Biswal, U Bhattacharya, MK Rana Computers in biology and medicine 142, 105183, 2022 | 40* | 2022 |
| Binding insight of clinically oriented drug famotidine with the identified potential target of SARS-CoV-2 PS Sen Gupta, S Biswal, D Singha, MK Rana Journal of Biomolecular Structure and Dynamics 39 (14), 5327-5333, 2021 | 40 | 2021 |
| Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV R Srivastava, SK Gupta, F Naaz, PSS Gupta, M Yadav, VK Singh, A Singh, ... Computational Biology and Chemistry 89, 107400, 2020 | 39 | 2020 |
| Anti-HIV potential of diarylpyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors: Design, synthesis, docking, TOPKAT analysis and molecular dynamics … VK Singh, R Srivastava, PSS Gupta, F Naaz, H Chaurasia, R Mishra, ... Journal of Biomolecular Structure and Dynamics 39 (7), 2430-2446, 2021 | 37 | 2021 |
| Designing AbhiSCoVac-A single potential vaccine for all ‘corona culprits’: Immunoinformatics and immune simulation approaches A Choudhury, PSS Gupta, SK Panda, MK Rana, S Mukherjee Journal of molecular liquids 351, 118633, 2022 | 31 | 2022 |
| Designing efficient multi-epitope peptide-based vaccine by targeting the antioxidant thioredoxin of bancroftian filarial parasite S Gorai, NC Das, PSS Gupta, SK Panda, MK Rana, S Mukherjee Infection, Genetics and Evolution 98, 105237, 2022 | 29 | 2022 |
| SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files PSS Gupta, S Mondal, B Mondal, RNU Islam, S Banerjee, ... Bioinformation 10 (3), 164-166, 2014 | 26 | 2014 |
| In-silico evidences on filarial cystatin as a putative ligand of human TLR4 NC Das, PS Sen Gupta, S Biswal, R Patra, MK Rana, S Mukherjee Journal of Biomolecular Structure and Dynamics 40 (19), 8808-8824, 2022 | 25 | 2022 |
| Designing of a novel multi-epitope peptide based vaccine against Brugia malayi: An in silico approach NC Das, R Patra, PSS Gupta, P Ghosh, M Bhattacharya, MK Rana, ... Infection, Genetics and Evolution 87, 104633, 2021 | 25 | 2021 |
| Ivermectin, famotidine, and doxycycline: a suggested combinatorial therapeutic for the treatment of COVID-19 PS Sen Gupta, MK Rana ACS Pharmacology & Translational Science 3 (5), 1037-1038, 2020 | 24 | 2020 |
| SBION2: Analyses of salt bridges from multiple structure files, version 2 PSS Gupta, A Nayek, S Banerjee, P Seth, S Das, VP Sur, C Roy, ... Bioinformation 11 (1), 39, 2015 | 23 | 2015 |
| Cell Surface Fibroblast Activation Protein-2 (Fap2) of Fusobacterium nucleatum as a Vaccine Candidate for Therapeutic Intervention of Human Colorectal Cancer … S Padma, R Patra, PS Sen Gupta, SK Panda, MK Rana, S Mukherjee Vaccines 11 (3), 525, 2023 | 19 | 2023 |
| Anion sensing by novel triarylboranes containing boraanthracene: DFT functional assessment, selective interactions, and mechanism demonstration HR Bhat, PSS Gupta, S Biswal, MK Rana ACS omega 4 (3), 4505-4518, 2019 | 19 | 2019 |
| Big data analytics for healthcare: datasets, techniques, life cycles, management, and applications P Keikhosrokiani Academic Press, 2022 | 18 | 2022 |
| Inhibitors of Plasmepsin X Plasmodium falciparum: Structure-based pharmacophore generation and molecular dynamics simulation SK Panda, S Saxena, PSS Gupta, MK Rana Journal of Molecular Liquids 340, 116851, 2021 | 15 | 2021 |
| Screening and molecular characterization of lethal mutations of human homogentisate 1, 2 dioxigenase PS Sen Gupta, RNUI Islam, S Banerjee, A Nayek, MK Rana, ... Journal of Biomolecular Structure and Dynamics 39 (5), 1661-1671, 2020 | 15 | 2020 |
Dr. Malay Kumar RanaIISER BerhampurVerified email at iiserbpr.ac.in
