| Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton KM Khan, F Rahim, A Wadood, N Kosar, M Taha, S Lalani, A Khan, ... European journal of medicinal chemistry 81, 245-252, 2014 | 180 | 2014 |
| Synthesis, in vitro evaluation and molecular docking studies of thiazole derivatives as new inhibitors of α-glucosidase F Rahim, H Ullah, MT Javid, A Wadood, M Taha, M Ashraf, A Shaukat, ... Bioorganic chemistry 62, 15-21, 2015 | 134 | 2015 |
| 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 | 96 | 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 | 92 | 2018 |
| Discovery of novel oxindole derivatives as potent α-glucosidase inhibitors M Khan, M Yousaf, A Wadood, M Junaid, M Ashraf, U Alam, M Ali, ... Bioorganic & Medicinal Chemistry 22 (13), 3441-3448, 2014 | 77 | 2014 |
| 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 | 74 | 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 | 71 | 2018 |
| An integrated systems biology and network-based approaches to identify novel biomarkers in breast cancer cell lines using gene expression data A Khan, Z Rehman, HF Hashmi, AA Khan, M Junaid, AM Sayaf, SS Ali, ... Interdisciplinary Sciences: Computational Life Sciences 12, 155-168, 2020 | 46 | 2020 |
| Dynamics insights into the gain of flexibility by Helix-12 in ESR1 as a mechanism of resistance to drugs in breast cancer cell lines A Khan, M Junaid, CD Li, S Saleem, F Humayun, S Shamas, SS Ali, ... Frontiers in Molecular Biosciences 6, 159, 2020 | 45 | 2020 |
| The aromatic stacking interactions between proteins and their macromolecular ligands M Mizanur Rahman, Z Tariq Muhseen, M Junaid, H Zhang Current Protein and Peptide Science 16 (6), 502-512, 2015 | 40 | 2015 |
| A practical guide to machine-learning scoring for structure-based virtual screening VK Tran-Nguyen, M Junaid, S Simeon, PJ Ballester Nature Protocols 18 (11), 3460-3511, 2023 | 39 | 2023 |
| Cancer immunoinformatics: a promising era in the development of peptide vaccines for human papillomavirus-induced cervical cancer S Kaliamurthi, G Selvaraj, M Junaid, A Khan, K Gu, DQ Wei Current pharmaceutical design 24 (32), 3791-3817, 2018 | 39 | 2018 |
| The systematic modeling studies and free energy calculations of the phenazine compounds as anti-tuberculosis agents Y Wang, A Khan, A Chandra Kaushik, M Junaid, X Zhang, DQ Wei Journal of Biomolecular Structure and Dynamics 37 (15), 4051-4069, 2019 | 36 | 2019 |
| Insight into novel clinical mutants of RpsA-S324F, E325K, and G341R of Mycobacterium tuberculosis associated with pyrazinamide resistance MT Khan, AU Rehaman, M Junaid, SI Malik, DQ Wei Computational and Structural Biotechnology Journal 16, 379-387, 2018 | 36 | 2018 |
| 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 | 35 | 2019 |
| Prediction of effective drug combinations by an improved naïve bayesian algorithm LY Bai, H Dai, Q Xu, M Junaid, SL Peng, X Zhu, Y Xiong, DQ Wei International journal of molecular sciences 19 (2), 467, 2018 | 34 | 2018 |
| Analyses of the binding between water soluble C60 derivatives and potential drug targets through a molecular docking approach M Junaid, EA Almuqri, J Liu, H Zhang PloS one 11 (2), e0147761, 2016 | 34 | 2016 |
| Machine learning-based virtual screening for STAT3 anticancer drug target A Wadood, A Ajmal, M Junaid, AU Rehman, R Uddin, SS Azam, AZ Khan, ... Current pharmaceutical design, 2022 | 33 | 2022 |
| 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 | 31 | 2019 |
| Metabolomic analysis of quorum sensing inhibitor hordenine on Pseudomonas aeruginosa JW Zhou, J Muhammad, B Sun, R Yang, A Wadood, JS Wang, AQ Jia Applied microbiology and biotechnology 103, 6271-6285, 2019 | 30 | 2019 |
Dongqing WeiProfessor of Bioinformatics/Computational Physics/Chemistry, Shanghai Jiaotong UniversityVerified email at sjtu.edu.cn