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 | 161 | 2010 |
A combination of receptor-based pharmacophore modeling & QM techniques for identification of human chymase inhibitors M Arooj, S Sakkiah, S Kim, V Arulalapperumal, KW Lee PLoS One 8 (4), e63030, 2013 | 64 | 2013 |
A rat α-fetoprotein binding activity prediction model to facilitate assessment of the endocrine disruption potential of environmental chemicals H Hong, J Shen, HW Ng, S Sakkiah, H Ye, W Ge, P Gong, W Xiao, ... International Journal of Environmental Research and Public Health 13 (4), 372, 2016 | 17 | 2016 |
Additional file 2: of Similarities and differences between variants called with human reference genome HG19 or HG38 B Pan, R Kusko, W Xiao, Y Zheng, Z Liu, C Xiao, S Sakkiah, W Guo, ... figshare, 2019 | | 2019 |
Alpha-Fetoprotein Structures, Functions and Binding Chemicals S Sakkiah, HW Ng, H Ye, HH Heng Luo, WEigong Ge, Weida Tong Alpha-Fetoprotein: Functions and Clinical Applications, 209 - 240, 2016 | 3 | 2016 |
An innovative strategy for dual inhibitor design and its application in dual inhibition of human thymidylate synthase and dihydrofolate reductase enzymes M Arooj, S Sakkiah, GP Cao, KW Lee PLoS One 8 (4), e60470, 2013 | 53 | 2013 |
Applications of molecular dynamics simulations in computational toxicology S Sakkiah, R Kusko, W Tong, H Hong Advances in computational toxicology: Methodologies and applications in …, 2019 | 10 | 2019 |
Binding Mode Investigation of Polyphenols from Scrophularia Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations A Manivannan, P Soundararajan, YG Park, S Sakkiah, BR Jeong Journal of Chemistry 2015 (1), 434256, 2015 | 18 | 2015 |
BPA replacement compounds: current status and perspectives Z Ji, J Liu, S Sakkiah, W Guo, H Hong ACS Sustainable Chemistry & Engineering 9 (6), 2433-2446, 2021 | 26 | 2021 |
Combined chemical feature-based assessment and Bayesian model studies to identify potential inhibitors for Factor Xa M Chandrasekaran, S Sakkiah, KW Lee Medicinal Chemistry Research 21, 4083-4099, 2012 | 4 | 2012 |
Combined ligand based pharmacophore modeling, virtual screening methods to identify critical chemical features of novel potential inhibitors for phosphodiesterase-5 M Chandrasekaran, S Sakkiah, KW Lee Journal of the Taiwan Institute of Chemical Engineers 42 (5), 709-718, 2011 | 13 | 2011 |
CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 149 | 2020 |
Competitive docking model for prediction of the human nicotinic acetylcholine receptor α7 binding of tobacco constituents HW Ng, C Leggett, S Sakkiah, B Pan, H Ye, L Wu, C Selvaraj, W Tong, ... Oncotarget 9 (24), 16899, 2018 | 8 | 2018 |
Computational prediction models for assessing endocrine disrupting potential of chemicals S Sakkiah, W Guo, B Pan, R Kusko, W Tong, H Hong Journal of Environmental Science and Health, Part C 36 (4), 192-218, 2018 | 27 | 2018 |
Consensus modeling for prediction of estrogenic activity of ingredients commonly used in sunscreen products H Hong, D Rua, S Sakkiah, C Selvaraj, W Ge, W Tong International Journal of Environmental Research and Public Health 13 (10), 958, 2016 | 20 | 2016 |
Corrigendum to “Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery”[J. Mol. Graph Model. 29 (2010) 382–395] S Thangapandian, S John, S Sakkiah, KW Lee Journal of Molecular Graphics and Modelling 6 (29), 894, 2011 | | 2011 |
Development of a nicotinic acetylcholine receptor nAChR α7 binding activity prediction model S Sakkiah, C Leggett, B Pan, W Guo, LG Valerio Jr, H Hong Journal of Chemical Information and Modeling 60 (4), 2396-2404, 2020 | 17 | 2020 |
Development of estrogen receptor beta binding prediction model using large sets of chemicals S Sakkiah, C Selvaraj, P Gong, C Zhang, W Tong, H Hong Oncotarget 8 (54), 92989, 2017 | 27 | 2017 |
Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations S Hwang, S Thangapandian, Y Lee, S Sakkiah, S John, KW Lee Journal of Bioinformatics and Computational Biology 9 (supp01), 15-35, 2011 | 15 | 2011 |
Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches C Meganathan, S Sakkiah, Y Lee, JV Narayanan, KW Lee Journal of molecular modeling 19, 715-726, 2013 | 3 | 2013 |