| Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation … KB Lokhande, GR Apte, A Shrivastava, A Singh, JK Pal, KV Swamy, ... Journal of Biomolecular Structure and Dynamics 40 (9), 3880-3898, 2022 | 37 | 2022 |
| In silico discovery of potent inhibitors against monkeypox’s major structural proteins KB Lokhande, A Shrivastava, A Singh Journal of Biomolecular Structure and Dynamics 41 (23), 14259-14274, 2023 | 18 | 2023 |
| Molecular dynamics study of tropical calcific pancreatitis (TCP) associated calcium-sensing receptor single nucleotide variation A Shrivastava, K Mathur, RK Verma, SK Jayadev Magani, DK Vyas, ... Frontiers in Molecular Biosciences 9, 982831, 2022 | 12 | 2022 |
| Mechanistic insight into the role of mevalonate kinase by a natural fatty acid-mediated killing of Leishmania donovani SR Prasad, P Kumar, S Mandal, A Mohan, R Chaurasia, A Shrivastava, ... Scientific Reports 12 (1), 16453, 2022 | 9 | 2022 |
| Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy KB Lokhande, A Kale, B Shahakar, A Shrivastava, N Nawani, KV Swamy, ... Computational Biology and Chemistry 106, 107912, 2023 | 8 | 2023 |
| Structural, functional and molecular dynamics analysis of cathepsin B gene SNPs associated with tropical calcific pancreatitis, a rare disease of tropics G Singh, SK jayadev Magani, R Sharma, B Bhat, A Shrivastava, ... PeerJ 7, e7425, 2019 | 8 | 2019 |
| Pharmacoinformatics approach for the screening of Kovidra (Bauhinia variegata) phytoconstituents against tumor suppressor protein in triple negative breast cancer P More-Adate, KB Lokhande, A Shrivastava, S Doiphode, S Nagar, ... Journal of Biomolecular Structure and Dynamics 42 (8), 4263-4282, 2024 | 6 | 2024 |
| Designing of peptide based multi-epitope vaccine construct against gallbladder cancer using immunoinformatics and computational approaches MA Dar, P Kumar, P Kumar, A Shrivastava, MA Dar, R Chauhan, V Trivedi, ... Vaccines 10 (11), 1850, 2022 | 6 | 2022 |
| Immunoinformatics-based multi-epitope containing fused polypeptide vaccine design against visceral leishmaniasis with high immunogenicity and TLR binding P Kumar, P Kumar, A Shrivastava, MA Dar, KB Lokhande, N Singh, ... International Journal of Biological Macromolecules 253, 127567, 2023 | 5 | 2023 |
| Identification of potential drug candidates as TGR5 agonist to combat type II diabetes using in silico docking and molecular dynamics simulation studies RS Bhimanwar, KB Lokhande, A Shrivastava, A Singh, SS Chitlange, ... Journal of Biomolecular Structure and Dynamics 41 (22), 13314-13331, 2023 | 4 | 2023 |
| Screening of potential phytomolecules against MurG as drug target in nosocomial pathogen Pseudomonas aeruginosa: perceptions from computational campaign KB Lokhande, SV Pawar, S Madkaiker, A Shrivastava, SK Venkateswara, ... Journal of Biomolecular Structure and Dynamics 42 (1), 495-508, 2024 | 3 | 2024 |
| Exploring potential of Plasmodium RUVBL proteins as anti-malarial drug target J Khurana, A Shrivastava, A Singh, A Gupta Journal of Biomolecular Structure and Dynamics 41 (2), 736-752, 2023 | 3 | 2023 |
| Discovery of potent inhibitors against monkeypox's major structural proteins using high throughput virtual screening, large scale molecular dynamics and DFT calculations KB Lokhande, A Shrivastava, A Singh | 2 | 2022 |
| Unveiling novel therapeutic avenues: Targeting the cyclin D/CDK4 axis for enhanced cancer treatment KB Lokhande, A Shrivastava, A Singh Medical Hypotheses 185, 111313, 2024 | 1 | 2024 |
| Exploring the role of TLK2 mutation in tropical calcific pancreatitis: an in silico and molecular dynamics simulation study A Shrivastava, SKJ Magani, KB Lokhande, M Chintakhindi, A Singh Journal of Biomolecular Structure and Dynamics, 1-20, 2024 | 1 | 2024 |
| PD-1 interactome in osteosarcoma: identification of a novel PD-1/AXL interaction conserved between humans and dogs K Dziubek, J Faktor, KB Lokhande, A Shrivastava, I Papak, E Chrusciel, ... Cell Communication and Signaling 22 (1), 605, 2024 | | 2024 |
| Exploring the DPP IV inhibitory potential: molecular docking and dynamic simulations of pyridine-3-carboxylic acid and pyrrolidine-2-carboxylic acid analogs HH Puranik, AB Thomas, KB Lokhande, A Shrivastava, A Singh, ... Journal of Biomolecular Structure and Dynamics, 1-21, 2024 | | 2024 |
| Structural, Functional and Molecular Dynamics Analysis of SMAD3 Variant in Pancreatitis A Shrivastava, G Singh, M Chinthakindi, SKJ Magani, A Singh Proceedings of International Conference on Drug Discovery (ICDD), 2020 | | 2020 |
Dr Ashutosh SinghAssociate Professor, Department of Life Sciences, Shiv Nadar UniversityVerified email at snu.edu.in
