| Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease KD Singh, P Kirubakaran, S Nagarajan, S Sakkiah, K Muthusamy, ... Journal of molecular modeling 18, 39-51, 2012 | 105 | 2012 |
| Rationalizing PROTAC-mediated ternary complex formation using Rosetta N Bai, SA Miller, GV Andrianov, M Yates, P Kirubakaran, J Karanicolas Journal of chemical information and modeling 61 (3), 1368-1382, 2021 | 81 | 2021 |
| 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 |
| Exquisite ligand stereoselectivity of a Drosophila juvenile hormone receptor contrasts with its broad agonist repertoire L Bittova, P Jedlicka, M Dracinsky, P Kirubakaran, J Vondrasek, R Hanus, ... Journal of Biological Chemistry 294 (2), 410-423, 2019 | 39 | 2019 |
| 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 |
| Sighting of tankyrase inhibitors by structure-and ligand-based screening and in vitro approach P Kirubakaran, P Arunkumar, K Premkumar, K Muthusamy Molecular BioSystems 10 (10), 2699-2712, 2014 | 22 | 2014 |
| Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions P Kirubakaran, G Kothandan, SJ Cho, K Muthusamy Molecular BioSystems 10 (2), 281-293, 2014 | 21 | 2014 |
| 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 |
| Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response P Kirubakaran, M Karthikeyan Journal of Receptors and Signal Transduction 33 (5), 276-285, 2013 | 14 | 2013 |
| 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 |
| Substituents at the C3′ and C3′ N positions are critical for taxanes to overcome acquired resistance of cancer cells to paclitaxel M Jelínek, K Balušíková, P Daniel, V Němcová-Fürstová, P Kirubakaran, ... Toxicology and applied pharmacology 347, 79-91, 2018 | 12 | 2018 |
| Theoretical studies on benzimidazole derivatives as E. coli biotin carboxylase inhibitors S Nagamani, K Muthusamy, P Kirubakaran, KD Singh, G Krishnasamy Medicinal Chemistry Research 21 (9), 2169-2180, 2012 | 9 | 2012 |
| Understanding the evolutionary relationship of hemagglutinin protein from influenza viruses using phylogenetic and molecular modeling studies M Karthikeyan, P Kirubakaran, KD Singh, B Sampath, G Krishnasamy Journal of Biomolecular Structure and Dynamics 32 (5), 816-830, 2014 | 8 | 2014 |
| The identification of new substrates of human DHRS7 by molecular modeling and in vitro testing L Zemanová, P Kirubakaran, IH Pato, H Štambergová, J Vondrášek International journal of biological macromolecules 105, 171-182, 2017 | 7 | 2017 |
| Artificial proteins as allosteric modulators of PDZ3 and SH3 in two‐domain constructs: a computational characterization of novel chimeric proteins P Kirubakaran, L Pfeiferová, K Boušová, L Bednarova, V Obšilová, ... Proteins: Structure, Function, and Bioinformatics 84 (10), 1358-1374, 2016 | 6 | 2016 |
| Docking studies of adenosine analogues with NS5 methyltransferase of yellow fever virus K Dhanachandra Singh, P Kirubakaran, S Manikandaprabhu, ... Indian journal of microbiology 52, 28-34, 2012 | 5 | 2012 |
| Comparative modeling of CDK9 Inhibitors to explore selectivity and structure-activity relationships P Kirubakaran, G Morton, P Zhang, H Zhang, J Gordon, M Abou-Gharbia, ... bioRxiv, 2020.06. 08.138602, 2020 | 4 | 2020 |
| Pharmacophore modeling, 3D-QSAR, and molecular docking study on naphthyridine derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1 P Kirubakaran, K Muthusamy, K Dhanachandra Singh, S Nagamani Medicinal Chemistry Research 22 (8), 3812-3822, 2013 | 4 | 2013 |
| Structure-based drug discovery of ApoE4 inhibitors from the plant compounds K Dhanachandra Singh, M Karthikeyan, P Kirubakaran, V Sathya, ... Medicinal Chemistry Research 21, 825-833, 2012 | 4 | 2012 |
Dr.Karthikeyan MuthusamyAssociate Professor of Bioinformatics, Alagappa UniversityVerified email at alagappauniversity.ac.in
