| 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 | 98 | 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 |
| 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 | 41 | 2020 |
| In silico mutagenesis-based remodelling of SARS-CoV-1 peptide (ATLQAIAS) to inhibit SARS-CoV-2: structural-dynamics and free energy calculations A Khan, S Umbreen, A Hameed, R Fatima, U Zahoor, Z Babar, M Waseem, ... Interdisciplinary Sciences: Computational Life Sciences 13, 521-534, 2021 | 21 | 2021 |
| Drug similarity and structure-based screening of medicinal compounds to target macrodomain-I from SARS-CoV-2 to rescue the host immune system: a molecular dynamics study Z Babar, M Khan, M Zahra, M Anwar, K Noor, HF Hashmi, M Suleman, ... Journal of Biomolecular Structure and Dynamics 40 (1), 523-537, 2022 | 18 | 2022 |
| Phylogenetic analysis and structural perspectives of RNA-dependent RNA-polymerase inhibition from SARs-CoV-2 with natural products. Interdiscip Sci. 2020; 12 (3): 335–48 A Khan, M Khan, S Saleem, Z Babar, A Ali, AA Khan, Z Sardar, ... Computational Life Sciences, 0 | 6 | |
| Decoding the structure of RNA-dependent RNA-polymerase (RdRp), understanding the ancestral relationship and dispersion pattern of 2019 Wuhan Coronavirus A Khan, M Khan, S Saleem, Z Babar, A Ali, AA Khan, Z Sardar, ... | 5 | 2020 |
| Pharmaceutical waste and antimicrobial resistance. AA Akram Ahmad, IP Isha Patel, MU Khan, Z Babar | | 2017 |
