| 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, 2021 | 142 | 2021 |
| 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 | 44 | 2021 |
| Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2) S Chinnasamy, G Selvaraj, C Selvaraj, AC Kaushik, S Kaliamurthi, ... International journal of biological macromolecules 144, 53-66, 2020 | 42 | 2020 |
| Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: Assessing the performance of density functional theory, MM-GBSA and mass action … S Chinnasamy, G Selvaraj, AC Kaushik, S Kaliamurthi, S Chandrabose, ... Journal of Biomolecular Structure and Dynamics 38 (14), 4325-4335, 2020 | 38 | 2020 |
| Exploring the papillomaviral proteome to identify potential candidates for a chimeric vaccine against cervix papilloma using immunomics and computational structural vaccinology S Kaliamurthi, G Selvaraj, S Chinnasamy, Q Wang, AS Nangraj, ... Viruses 11 (1), 63, 2019 | 36 | 2019 |
| High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors K Muthusamy, KD Singh, S Chinnasamy, S Nagamani, G Krishnasamy, ... Interdisciplinary Sciences: Computational Life Sciences 5, 119-126, 2013 | 30 | 2013 |
| Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studies S Chinnasamy, S Chinnasamy, S Nagamani, K Muthusamy Journal of Biomolecular Structure and Dynamics 33 (7), 1516-1527, 2015 | 26 | 2015 |
| Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insights K Muthusamy, S Chinnasamy, S Nagarajan, T Sivaraman, S Chinnasamy Journal of Biomolecular Structure and Dynamics 35 (9), 1936-1949, 2017 | 21 | 2017 |
| Zn 2+ ion of the snake venom metalloproteinase (SVMP) plays a critical role in ligand binding: A molecular dynamics simulation study S Chinnasamy, S Nagamani, K Muthusamy RSC advances 5 (86), 70566-70576, 2015 | 21 | 2015 |
| Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC. K Muthusamy, S Chinnasamy, S Nagarajan, T Sivaraman Journal of Biomolecular Structure and Dynamics 36 (16), 4197-4208, 2018 | 18 | 2018 |
| 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 |
| Identification of potent inhibitors against Aurora kinase A using molecular docking and molecular dynamics simulation studies S Chinnasamy, G Selvaraj, AC Kaushik, S Kaliamurthi, AS Nangraj, ... Preprints, 2019 | 8 | 2019 |
| Insight into the drug resistance whole genome of Mycobacterium tuberculosis isolates from Khyber Pakhtunkhwa, Pakistan MT Khan, S Ali, A Khan, AC Kaushik, M Irfan, S Chinnasamy, S Zhang, ... Infection, Genetics and Evolution 92, 104861, 2021 | 7 | 2021 |
| Molecular dynamics simulation and binding free energy calculations of microcin J25 binding to the FhuA receptor Z Li, S Chinnasamy, Y Zhang, DQ Wei Journal of Biomolecular Structure and Dynamics 39 (7), 2585-2594, 2021 | 6 | 2021 |
| High-affinity selective inhibitor against phospholipase A2 (PLA2): a computational study S Chinnasamy, S Chinnasamy, K Muthusamy Journal of Receptors and Signal Transduction 36 (2), 111-118, 2016 | 6 | 2016 |
| Mechanistic analysis of A46V, H57Y, and D129N in pyrazinamidase associated with pyrazinamide resistance MT Khan, S Chinnasamy, Z Cui, M Irfan, DQ Wei Saudi Journal of Biological Sciences 27 (11), 3150-3156, 2020 | 5 | 2020 |
| Immunomics datasets and tools: to identify potential epitope segments for designing chimeric vaccine candidate to cervix papilloma S Kaliamurthi, G Selvaraj, S Chinnasamy, Q Wang, AS Nangraj, WC Cho, ... Data 4 (1), 31, 2019 | 4 | 2019 |
| Nanopeptides: non-covalent interactions in chemistry and biological functions C Selvakkumar, K Muthusamy, SK Chinnasamy J App Pharm 8 (218), 2, 2016 | 3 | 2016 |
| Nanopeptides: Non-Covalent Interactions in Chemistry and Biological Functions S Chinnasamy, K Muthusamy, S Chinnasamy Available at SSRN 2765120, 2016 | 1 | 2016 |
| Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships S Chinnasamy, K Muthusamy, S Chinnasamy Available at SSRN 2765084, 2016 | | 2016 |
