| Discovery of novel coumarin analogs against the α-glucosidase protein target of Diabetes mellitus: Pharmacophore-based QSAR, docking, and molecular dynamics simulation studies AK Maurya, V Mulpuru, N Mishra ACS omega 5 (50), 32234-32249, 2020 | 39 | 2020 |
| In silico prediction of fraction unbound in human plasma from chemical fingerprint using automated machine learning V Mulpuru, N Mishra ACS omega 6 (10), 6791-6797, 2021 | 18 | 2021 |
| Computational Identification of SARS-CoV-2 Inhibitor in Tinospora cordifolia, Cinnamomum zeylanicum and Myristica fragrans V Mulpuru, N Mishra VirusDisease 32, 511-517, 2021 | 12 | 2021 |
| Microwave-irradiated novel isolation of nanocellulose from waste rice husk via modified chemo-mechanical route: characterization, in-silico prediction, and its … S Varshney, V Mulpuru, N Mishra, MK Gupta Materials Technology 37 (13), 2608-2622, 2022 | 11 | 2022 |
| HAMP: a knowledge-base of antimicrobial peptides from human microbiome V Mulpuru, R Semwal, PK Varadwaj, N Mishra Current Bioinformatics 16 (4), 534-540, 2021 | 10 | 2021 |
| Immunoinformatic based identification of cytotoxic T lymphocyte epitopes from the Indian isolate of SARS-CoV-2 V Mulpuru, N Mishra Scientific Reports 11 (1), 4516, 2021 | 8 | 2021 |
| Antimicrobial Peptides from Human Microbiome Against Multidrug Efflux Pump of Pseudomonas aeruginosa: a Computational Study V Mulpuru, N Mishra Probiotics and Antimicrobial Proteins 14 (1), 180-188, 2022 | 5 | 2022 |
| Exploring the mechanism of action of podophyllotoxin derivatives through molecular docking, molecular dynamics simulation and MM/PBSA studies A Mishra, V Mulpuru, N Mishra Journal of Biomolecular Structure and Dynamics 41 (18), 8856-8865, 2023 | 3 | 2023 |
| Identification of SARS-CoV-2 inhibitors through phylogenetics and drug repurposing A Mishra, V Mulpuru, N Mishra Structural Chemistry 33 (5), 1789-1797, 2022 | 3 | 2022 |
| Finding novel AMPs secreted from the human microbiome as potent antibacterial and antibiofilm agents and studying their synergistic activity with Ag NCs A Singh, A Amod, V Mulpuru, N Mishra, AK Sahoo, SK Samanta ACS Applied Bio Materials 6 (9), 3674-3682, 2023 | 2 | 2023 |
| Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation … S Modanwal, V Mulpuru, N Mishra Current Computer-Aided Drug Design 19 (4), 258-277, 2023 | 2 | 2023 |
| An Interaction Network Driven Approach for Identifying Cervical, Endometrial, Vulvar Carcinomic Biomarkers and Their Multi-targeted Inhibitory Agents from Few Widely Available … A Mishra, V Mulpuru, N Mishra Applied Biochemistry and Biotechnology 195 (11), 6893-6912, 2023 | 1 | 2023 |
| Identification of hub genes in common cancers of women in India and targeting for the search of anticancer agent from Punica granatum phytoconstituent using … A Mishra, V Mulpuru, N Mishra Journal of Biomolecular Structure and Dynamics 40 (23), 12683-12689, 2022 | 1 | 2022 |
| Verification, Validation and Sensitivity Studies of Computational Models used in Assessment V Mulpuru, N Mishra Computational Toxicology for Drug Safety and a Sustainable Environment, 21, 2023 | | 2023 |
| Correction to “In Silico Prediction of Fraction Unbound in Human Plasma from Chemical Fingerprint Using Automated Machine Learning” V Mulpuru, N Mishra ACS omega 8 (49), 47313-47314, 2023 | | 2023 |
| Virtual screening and invitro evaluation of cyclooxygenase inhibitors from Tinospora cordifolia using the machine learning tool A Mathe, V Mulpuru, SK Katari, AP Karlapudi, V TC Journal of Biomolecular Structure and Dynamics, 1-15, 2023 | | 2023 |
| Advances in Biomolecular Simulations for Rational Drug Designing and Ecotoxicity V Mulpuru, N Mishra Medicinal and Environmental Chemistry: Experimental Advances and Simulations …, 2021 | | 2021 |
| CFD Analysis of Anticancerous Ag and CuO Nanoparticles in Tumor Angiogenic Vessels V Mulpuru, AK Maurya, N Mishra 2019 IEEE 16th India Council International Conference (INDICON), 1-2, 2019 | | 2019 |
