| Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors KD Singh, M Karthikeyan, P Kirubakaran, S Nagamani Journal of Molecular Graphics and Modelling 30, 186-197, 2011 | 55 | 2011 |
| Effect of plant growth regulators on sex expression, fruit setting, seed yield and quality in the parental lines for hybrid seed production in bitter gourd (Momordica charantia) S Nagamani, S Basu, S Singh, SK Lal, TK Behera, SK Chakrabarty, ... Indian Journal of Agricultural Sciences 85 (9), 1185-91, 2015 | 31 | 2015 |
| 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 |
| Ligand-based pharmacophore modeling; atom-based 3D-QSAR analysis and molecular docking studies of phosphoinositide-dependent kinase-1 inhibitors P Kirubakaran, K Muthusamy, KHD Singh, S Nagamani Indian Journal of Pharmaceutical Sciences 74 (2), 141, 2012 | 24 | 2012 |
| 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 |
| E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR) S Nagamani, C Kesavan, K Muthusamy Bioinformation 8 (15), 705, 2012 | 20 | 2012 |
| In silico structural and functional analysis of the human TOPK protein by structure modeling and molecular dynamics studies P Kirubakaran, M Karthikeyan, KD Singh, S Nagamani, K Premkumar Journal of molecular modeling 19, 407-419, 2013 | 19 | 2013 |
| In silico studies on marine actinomycetes as potential inhibitors for Glioblastoma multiforme P Kirubakaran, R Kothapalli, KD Singh, S Nagamani, S Arjunan, ... Bioinformation 6 (3), 100, 2011 | 18 | 2011 |
| Molecular property diagnostic suite for diabetes mellitus (MPDSDM): an integrated web portal for drug discovery and drug repurposing AS Gaur, S Nagamani, K Tanneeru, D Druzhilovskiy, A Rudik, V Poroikov, ... Journal of Biomedical Informatics 85, 114-125, 2018 | 17 | 2018 |
| Mycobacterium tuberculosis Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches S Nagamani, GN Sastry ACS omega 6 (27), 17472-17482, 2021 | 15 | 2021 |
| Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing SS Madugula, L John, S Nagamani, AS Gaur, VV Poroikov, GN Sastry Computers in Biology and Medicine 138, 104856, 2021 | 14 | 2021 |
| Homology modeling, molecular dynamics, and molecular docking studies of Trichomonas vaginalis carbamate kinase P Kirubakaran, K Muthusamy, K Dhanachandra Singh, S Nagamani Medicinal Chemistry Research 21, 2105-2116, 2012 | 13 | 2012 |
| Applying polypharmacology approach for drug repurposing for SARS-CoV2 E Jamir, H Sarma, L Priyadarsinee, S Nagamani, K Kiewhuo, AS Gaur, ... Journal of Chemical Sciences 134 (2), 57, 2022 | 12 | 2022 |
| E-pharmacophore filtering and molecular dynamics simulation studies in the discovery of potent drug-like molecules for chronic kidney disease S Nagamani, K Muthusamy, JJ Marshal Journal of Biomolecular Structure and Dynamics 34 (10), 2233-2250, 2016 | 12 | 2016 |
| The binding mode prediction and similar ligand potency in the active site of vitamin D receptor with QM/MM interaction, MESP, and MD simulation N Selvaraman, SK Selvam, K Muthusamy Chemical biology & drug design 88 (2), 272-280, 2016 | 12 | 2016 |
| Identification of novel small molecules that bind to the Loop2 region of sclerostin-an in silico computational analysis K Muthusamy, S Mohan, S Nagamani, C Kesavan Physiological Research 65 (5), 871, 2016 | 11 | 2016 |
| Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery S Nagamani, AS Gaur, K Tanneeru, G Muneeswaran, SS Madugula, ... SAR and QSAR in Environmental Research 28 (11), 913-926, 2017 | 10 | 2017 |
| Exploring the Carbamazepine Interaction with Human Pregnane X Receptor and Effect on ABCC2 Using in Vitro and in Silico Approach GK Grewal, KD Singh, N Kanojia, C Rawat, S Kukal, A Jajodia, A Singhal, ... Pharmaceutical research 34, 1444-1458, 2017 | 10 | 2017 |
| Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite AS Gaur, L John, N Kumar, MR Vivek, S Nagamani, HJ Mahanta, ... Molecular Diversity 27 (3), 1459-1468, 2023 | 9 | 2023 |
Dr.Karthikeyan MuthusamyAssociate Professor of Bioinformatics, Alagappa UniversityVerified email at alagappauniversity.ac.in
