| Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein B Verhalen, R Dastvan, S Thangapandian, Y Peskova, HA Koteiche, ... Nature 543 (7647), 738-741, 2017 | 226 | 2017 |
| 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors S Sakkiah, S Thangapandian, S John, YJ Kwon, KW Lee European journal of medicinal chemistry 45 (6), 2132-2140, 2010 | 160 | 2010 |
| Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies S John, S Thangapandian, S Sakkiah, KW Lee BMC bioinformatics 12, 1-11, 2011 | 101 | 2011 |
| Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design S Thangapandian, S John, S Sakkiah, KW Lee European journal of medicinal chemistry 45 (10), 4409-4417, 2010 | 96 | 2010 |
| 3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors M Arooj, S Thangapandian, S John, S Hwang, JK Park, KW Lee International journal of molecular sciences 12 (12), 9236-9264, 2011 | 73 | 2011 |
| Molecular modeling study on tunnel behavior in different histone deacetylase isoforms S Thangapandian, S John, Y Lee, V Arulalapperumal, KW Lee PLoS One 7 (11), e49327, 2012 | 72 | 2012 |
| Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors S John, S Thangapandian, M Arooj, JC Hong, KD Kim, KW Lee BMC bioinformatics 12, 1-14, 2011 | 69 | 2011 |
| Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors S Sakkiah, S Thangapandian, S John, KW Lee European Journal of Medicinal Chemistry 46 (7), 2937-2947, 2011 | 66 | 2011 |
| Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets G Idakwo, S Thangapandian, J Luttrell, Y Li, N Wang, Z Zhou, H Hong, ... Journal of cheminformatics 12, 1-19, 2020 | 58 | 2020 |
| Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene A4 hydrolase and leukotriene C4 synthase S Thangapandian, S John, S Sakkiah, KW Lee Journal of chemical information and modeling 51 (1), 33-44, 2011 | 53 | 2011 |
| Dynamic structure-based pharmacophore model development: a new and effective addition in the histone deacetylase 8 (HDAC8) inhibitor discovery S Thangapandian, S John, Y Lee, S Kim, KW Lee International journal of molecular sciences 12 (12), 9440-9462, 2011 | 50 | 2011 |
| Potential virtual lead identification in the discovery of renin inhibitors: Application of ligand and structure-based pharmacophore modeling approaches S Thangapandian, S John, S Sakkiah, KW Lee European journal of medicinal chemistry 46 (6), 2469-2476, 2011 | 48 | 2011 |
| Deep learning-based structure-activity relationship modeling for multi-category toxicity classification: a case study of 10K Tox21 chemicals with high-throughput cell-based … G Idakwo, S Thangapandian, J Luttrell IV, Z Zhou, C Zhang, P Gong Frontiers in physiology 10, 1044, 2019 | 44 | 2019 |
| The cellular membrane as a mediator for small molecule interaction with membrane proteins CG Mayne, MJ Arcario, P Mahinthichaichan, JL Baylon, JV Vermaas, ... Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2290-2304, 2016 | 44 | 2016 |
| Mass spectrometry-based cross-linking study shows that the Psb28 protein binds to cytochrome b559 in Photosystem II DA Weisz, H Liu, H Zhang, S Thangapandian, E Tajkhorshid, ML Gross, ... Proceedings of the National Academy of Sciences 114 (9), 2224-2229, 2017 | 42 | 2017 |
| Construction and characterization of chimeric cellulases with enhanced catalytic activity towards insoluble cellulosic substrates AA Telke, SS Ghatge, SH Kang, S Thangapandian, KW Lee, HD Shin, ... Bioresource technology 112, 10-17, 2012 | 41 | 2012 |
| Identification of potent virtual leads to design novel indoleamine 2, 3-dioxygenase inhibitors: Pharmacophore modeling and molecular docking studies S John, S Thangapandian, S Sakkiah, KW Lee European journal of medicinal chemistry 45 (9), 4004-4012, 2010 | 36 | 2010 |
| Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors S Thangapandian, S John, S Sakkiah, KW Lee European journal of medicinal chemistry 46 (5), 1593-1603, 2011 | 35 | 2011 |
| Probing possible egress channels for multiple ligands in human CYP3A4: a molecular modeling study N Krishnamoorthy, P Gajendrarao, S Thangapandian, Y Lee, KW Lee Journal of molecular modeling 16, 607-614, 2010 | 35 | 2010 |
| Color removal efficiency of dyes using nanozerovalent iron treatment P Prema, S Thangapandian, M Selvarani, S Subharanjani, C Amutha Toxicological & Environmental Chemistry 93 (10), 1908-1917, 2011 | 32 | 2011 |
