|
Tang, Hao; Wang, Xiang Simon; Hsieh, Jui-Hua et al. (2012) Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening? Proteins 80:1503-21
|
|
Dong, Xialan; Ebalunode, Jerry O; Yang, Sheng-Yong et al. (2011) Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling. Curr Comput Aided Drug Des 7:181-9
|
|
Baker, Nancy C; Hemminger, Bradley M (2010) Mining connections between chemicals, proteins, and diseases extracted from Medline annotations. J Biomed Inform 43:510-9
|
|
Walker, Theo; Grulke, Christopher M; Pozefsky, Diane et al. (2010) Chembench: a cheminformatics workbench. Bioinformatics 26:3000-1
|
|
Hajjo, Rima; Grulke, Christopher M; Golbraikh, Alexander et al. (2010) Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs. J Med Chem 53:7573-86
|
|
Tang, Hao; Wang, Xiang S; Huang, Xi-Ping et al. (2009) Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation. J Chem Inf Model 49:461-76
|
|
Peterson, Yuri K; Wang, Xiang S; Casey, Patrick J et al. (2009) Discovery of geranylgeranyltransferase-I inhibitors with novel scaffolds by the means of quantitative structure-activity relationship modeling, virtual screening, and experimental validation. J Med Chem 52:4210-20
|
|
Ebalunode, Jerry Osagie; Zheng, Weifan (2009) Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments. J Chem Inf Model 49:1313-20
|
|
Wang, Xiang S; Tang, Hao; Golbraikh, Alexander et al. (2008) Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1F. J Chem Inf Model 48:997-1013
|
|
Ebalunode, Jerry Osagie; Ouyang, Zheng; Liang, Jie et al. (2008) Novel approach to structure-based pharmacophore search using computational geometry and shape matching techniques. J Chem Inf Model 48:889-901
|
Showing the most recent 10 out of 12 publications
