| Binding mechanism and structural insights into the identified protein target of COVID-19 and importin-α with in-vitro effective drug ivermectin PS Sen Gupta, S Biswal, SK Panda, AK Ray, MK Rana Journal of Biomolecular Structure and Dynamics 40 (5), 2217-2226, 2022 | 62 | 2022 |
| 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 | 45 | 2021 |
| Homology modeling, docking and structure-based virtual screening for new inhibitor identification of Klebsiella pneumoniae heptosyltransferase-III SK Panda, S Saxena, L Guruprasad Journal of Biomolecular Structure and Dynamics, 2019 | 39 | 2019 |
| 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 | 25 | 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 | 23 | 2022 |
| 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 | 23 | 2022 |
| 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 |
| 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 | 14 | 2021 |
| Reverse vaccinology assisted design of a novel multi-epitope vaccine to target Wuchereria bancrofti cystatin: An immunoinformatics approach NC Das, PSS Gupta, SK Panda, MK Rana, S Mukherjee International Immunopharmacology 115, 109639, 2023 | 9 | 2023 |
| Design, synthesis, biological evaluation and molecular docking study of novel hybrid of pyrazole and benzimidazoles NC Desai, DD Pandya, DJ Jadeja, SK Panda, MK Rana Chemical Data Collections 33, 100703, 2021 | 9 | 2021 |
| Inhibitors of Heptosyltransferase I to prevent heptose transfer against antibiotic resistance of E. coli: Energetics and stability analysis by DFT and molecular dynamics U Bhattacharya, SK Panda, PSS Gupta, MK Rana Journal of Molecular Structure 1253, 132258, 2022 | 8 | 2022 |
| Insights into the binding mechanism of ascorbic acid and violaxanthin with violaxanthin de-epoxidase (VDE) and chlorophycean violaxanthin de-epoxidase (CVDE) enzymes S Biswal, PSS Gupta, SK Panda, HR Bhat, MK Rana Photosynthesis Research 156 (3), 337-354, 2023 | 7 | 2023 |
| Identification and investigation of a cryptic binding pocket of the P37 envelope protein of monkeypox virus by molecular dynamics simulations PS Sen Gupta, SK Panda, AK Nayak, MK Rana The Journal of Physical Chemistry Letters 14 (13), 3230-3235, 2023 | 7 | 2023 |
| Repurposing of FDA approved drugs for the identification of potential inhibitors of SARS-CoV-2 main protease AK Ray, PSS Gupta, SK Panda, S Biswal, MK Rana | 7 | 2020 |
| Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine: Docking and molecular dynamics studies to elucidate viral action SK Panda, PSS Gupta, MK Rana Cell Biochemistry and Function 41 (1), 98-111, 2023 | 6 | 2023 |
| Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular … R Srivastava, SK Gupta, F Naaz, PSS Gupta, M Yadav, VK Singh, ... Computational Biology and Chemistry 106, 107910, 2023 | 3 | 2023 |
| Cost colour variation in Common Palm Civet in Satkosia, eastern India calls for the need to revisit taxonomic and distribution status V Vasudeva, G Behera, SP Behera, SK Panda, P Ramasamy, PR Karat, ... ZOO'S PRINT 36 (6), 15-17, 2021 | 2 | 2021 |
| Unmasking an Allosteric Binding Site of the Papain-like Protease in SARS-CoV-2: Molecular Dynamics Simulations of Corticosteroids SK Panda, PS Sen Gupta, S Karmakar, S Biswal, NC Mahanandia, ... The Journal of Physical Chemistry Letters 14 (45), 10278-10284, 2023 | 1 | 2023 |
| Genotyping, in silico screening and molecular dynamics simulation of SNPs of MGMT and ERCC1 gene in lung cancer patients treated with platinum-based doublet chemotherapy S Singh, A Gupta, N Singh, PS Sengupta, SK Panda, S Sharma Journal of Biomolecular Structure and Dynamics, 1-20, 2023 | 1 | 2023 |
| Design, synthesis, antimicrobial activity, DFT, and molecular docking studies of pyridine‐pyrazole‐based dihydro‐1, 3, 4‐oxadiazoles against various bacterial and fungal targets N Desai, D Jadeja, J Monapara, SK Panda, MK Rana, B Dave Journal of Biochemical and Molecular Toxicology 37 (8), e23377, 2023 | 1 | 2023 |
Dr. Malay Kumar RanaIISER BerhampurVerified email at iiserbpr.ac.in
