| 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 | 158 | 2010 |
| Large-scale identification of coevolution signals across homo-oligomeric protein interfaces by direct coupling analysis SJ Lovis*, G Uguzzonia*, F Oteria, A Schug, H Szurmant, M Weigt PNAS, 2017 | 118* | 2017 |
| 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 | 97 | 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 | 95 | 2010 |
| SDS-assisted protein transport through solid-state nanopores S John*, L Restrepo-Pérez*, A Aksimentiev, C Joo, C Dekker Nanoscale 9 (32), 11685-11693, 2017 | 73 | 2017 |
| 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 | 70 | 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 | 66 | 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 | 65 | 2011 |
| Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery T Sundarapandian, J Shalini, S Sugunadevi, LK Woo Journal of Molecular Graphics and Modelling 29 (3), 382-395, 2010 | 64 | 2010 |
| 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 | 48 | 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 |
| Protein unfolding by SDS: The microscopic mechanisms and the properties of the SDS-protein assembly D Winogradoff, S John, A Aksimentiev Nanoscale 12 (9), 5422-5434, 2020 | 41 | 2020 |
| 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 |
| Exploration of virtual candidates for human HMG-CoA reductase inhibitors using pharmacophore modeling and molecular dynamics simulations M Son, A Baek, S Sakkiah, C Park, S John, KW Lee PLoS One 8 (12), e83496, 2013 | 27 | 2013 |
| Molecular dynamics simulation study explaining inhibitor selectivity in different class of histone deacetylases S Thangapandian, S John, KW Lee Journal of Biomolecular Structure and Dynamics 29 (4), 677-698, 2012 | 26 | 2012 |
| Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies S John, S Thangapandian, S Sakkiah, KW Lee Journal of enzyme inhibition and medicinal chemistry 26 (4), 535-545, 2011 | 23 | 2011 |
| Identification of critical chemical features for Aurora kinase-B inhibitors using Hip-Hop, virtual screening and molecular docking S Sakkiah, S Thangapandian, S John, KW Lee Journal of molecular structure 985 (1), 14-26, 2011 | 21 | 2011 |
Yuno LeeKorea Chemical Bank (KCB), Korea Research Institute of Chemical Technology (KRICT)Verified email at kias.re.kr
