| Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study MT Khan, A Ali, Q Wang, M Irfan, A Khan, MT Zeb, YJ Zhang, ... Journal of Biomolecular Structure and Dynamics 39 (10), 3627-3637, 2020 | 157 | 2020 |
| Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro) A Khan, SS Ali, MT Khan, S Saleem, A Ali, M Suleman, Z Babar, A Shafiq, ... Journal of Biomolecular Structure and Dynamics 39 (13), 4659-4670, 2021 | 104 | 2021 |
| Phylogenetic analysis and structural perspectives of RNA-dependent RNA-polymerase inhibition from SARs-CoV-2 with natural products A Khan, M Khan, S Saleem, Z Babar, A Ali, AA Khan, Z Sardar, ... Interdisciplinary Sciences: Computational Life Sciences 12, 335-348, 2020 | 96 | 2020 |
| Structural insights into the mechanism of RNA recognition by the N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein A Khan, MT Khan, S Saleem, M Junaid, A Ali, SS Ali, M Khan, DQ Wei Computational and structural biotechnology journal 18, 2174-2184, 2020 | 95 | 2020 |
| Computational identification, characterization and validation of potential antigenic peptide vaccines from hrHPVs E6 proteins using immunoinformatics and computational systems … A Khan, M Junaid, AC Kaushik, A Ali, SS Ali, A Mehmood, DQ Wei PloS one 13 (5), e0196484, 2018 | 90 | 2018 |
| Immunoinformatic and systems biology approaches to predict and validate peptide vaccines against Epstein–Barr virus (EBV) A Ali, A Khan, AC Kaushik, Y Wang, SS Ali, M Junaid, S Saleem, ... Scientific reports 9 (1), 720, 2019 | 72 | 2019 |
| Network pharmacology: exploring the resources and methodologies J Muhammad, A Khan, A Ali, L Fang, W Yanjing, Q Xu, DQ Wei Current Topics in Medicinal Chemistry 18 (12), 949-964, 2018 | 72 | 2018 |
| Structures of SARS-CoV-2 RNA-binding proteins and therapeutic targets MT Khan, M Irfan, H Ahsan, A Ahmed, AC Kaushik, AS Khan, ... Intervirology 64 (2), 55-68, 2021 | 52 | 2021 |
| SARS-CoV-2 nucleocapsid and Nsp3 binding: an in silico study MT Khan, MT Zeb, H Ahsan, A Ahmed, A Ali, K Akhtar, SI Malik, Z Cui, ... Archives of microbiology 203, 59-66, 2021 | 51 | 2021 |
| Structural-dynamic insights into the H. pylori cytotoxin-associated gene A (CagA) and its abrogation to interact with the tumor suppressor protein ASPP2 using decoy peptides M Junaid, M Shah, A Khan, CD Li, MT Khan, AC Kaushik, A Ali, ... Journal of Biomolecular Structure and Dynamics, 2019 | 34 | 2019 |
| Evaluation and validation of synergistic effects of amyloid-beta inhibitor–gold nanoparticles complex on Alzheimer’s disease using deep neural network approach AC Kaushik, A Kumar, Z Peng, A Khan, M Junaid, A Ali, S Bharadwaj, ... Journal of Materials Research 34 (11), 1845-1853, 2019 | 30 | 2019 |
| Identification of novel drug targets for diamond-blackfan anemia based on RPS19 gene mutation using protein-protein interaction network A Khan, A Ali, M Junaid, C Liu, AC Kaushik, WCS Cho, DQ Wei BMC Systems Biology 12, 5-16, 2018 | 21 | 2018 |
| Zinc ortho methyl carbonodithioate improved pre and post-synapse memory impairment via sirt1/P-jnk pathway against scopolamine in adult mice R Jahan, M Yousaf, H Khan, SA Shah, AA Khan, N Bibi, F Javed, M Ijaz, ... Journal of Neuroimmune Pharmacology 18 (1), 183-194, 2023 | 12 | 2023 |
| Computational method for classification of avian influenza A virus using DNA sequence information and physicochemical properties F Humayun, F Khan, N Fawad, S Shamas, S Fazal, A Khan, A Ali, ... Frontiers in Genetics 12, 599321, 2021 | 11 | 2021 |
| Structural insights of catalytic mechanism in mutant pyrazinamidase of Mycobacterium tuberculosis M Junaid, CD Li, J Li, A Khan, SS Ali, SB Jamal, S Saud, A Ali, DQ Wei Journal of Biomolecular Structure and Dynamics 39 (9), 3172-3185, 2021 | 10 | 2021 |
| Pyrazinamide resistance of novel mutations in pncA and their dynamic behavior A Ali, MT Khan, A Khan, S Ali, S Chinnasamy, K Akhtar, A Shafiq, DQ Wei RSC advances 10 (58), 35565-35573, 2020 | 10 | 2020 |
| Helix-switch enables C99 dimer transition between the multiple conformations CD Li, M Junaid, H Chen, A Ali, DQ Wei Journal of Chemical Information and Modeling 59 (1), 339-350, 2018 | 10 | 2018 |
| In-vitro analysis of selective nutraceuticals binding to human transcription factors through computer aided molecular docking predictions M Teimouri, M Junaid, S Saleem, A Khan, A Ali Bioinformation 12 (7), 354, 2016 | 9 | 2016 |
| Inhibitory effect of thymoquinone from Nigella sativa against SARS-CoV-2 main protease. An in-silico study MT Khan, A Ali, X Wei, T Nadeem, S Muhammad, AG Al-Sehemi, D Wei Brazilian Journal of Biology 84, e250667, 2022 | 8 | 2022 |
| Identification of Novel Therapeutic Targets in Myelodysplastic Syndrome Using Protein-Protein Interaction Approach and Neural Networks DQW Arif Ali, Muhammad Junaid, Abbas Khan, Aman Chandra Kaushik, Aamir ... Journal of Computer Science and System Biology 11 (1), 184-189, 2018 | 6 | 2018 |
Dongqing WeiProfessor of Bioinformatics/Computational Physics/Chemistry, Shanghai Jiaotong UniversityVerified email at sjtu.edu.cn
