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Journal Articles
- 2020
[j10]Jie Xia
, Zhenyi Wang, Yi Huan, Wenjie Xue, Xing Wang, Yuxi Wang, Zhenming Liu, Jui-Hua Hsieh, Liangren Zhang, Song Wu, Zhufang Shen, Hongmin Zhang, Xiang Simon Wang:
Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. J. Chem. Inf. Model. 60(3): 1202-1214 (2020)- 2018
- [j9]Jie Xia, Terry-Elinor Reid, Song Wu, Liangren Zhang, Xiang Simon Wang:
Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis. J. Chem. Inf. Model. 58(5): 1104-1120 (2018) - 2017
- [j8]Jie Xia, Jui-Hua Hsieh, Huabin Hu, Song Wu, Xiang Simon Wang:
The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening. J. Chem. Inf. Model. 57(6): 1414-1425 (2017) - 2015
- [j7]Jie Xia, Ermias Lemma Tilahun, Eyob Hailu Kebede, Terry-Elinor Reid, Liang Ren Zhang, Xiang Simon Wang:
Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families. J. Chem. Inf. Model. 55(2): 374-388 (2015) - 2014
- [j6]Man Luo, Xiang Simon Wang, Bryan L. Roth, Alexander Golbraikh, Alexander Tropsha:
Application of Quantitative Structure-Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands. J. Chem. Inf. Model. 54(2): 634-647 (2014) - [j5]Jie Xia, Hongwei Jin, Zhenming Liu, Liang Ren Zhang, Xiang Simon Wang:
An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs. J. Chem. Inf. Model. 54(5): 1433-1450 (2014) - 2012
- [j4]Jui-Hua Hsieh, Shuangye Yin, Xiang S. Wang, Shubin Liu, Nikolay V. Dokholyan, Alexander Tropsha:
Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening. J. Chem. Inf. Model. 52(1): 16-28 (2012) - 2009
- [j3]Hao Tang, Xiang S. Wang, Xi-Ping Huang, Bryan L. Roth, Kyle V. Butler, Alan P. Kozikowski, Mira Jung, Alexander Tropsha:
Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation. J. Chem. Inf. Model. 49(2): 461-476 (2009) - 2008
- [j2]Jui-Hua Hsieh, Xiang S. Wang, Denise G. Teotico, Alexander Golbraikh, Alexander Tropsha:
Differentiation of AmpC beta-lactamase binders vs. decoys using classification k NN QSAR modeling and application of the QSAR classifier to virtual screening. J. Comput. Aided Mol. Des. 22(9): 593-609 (2008) - [j1]Xiang S. Wang, Hao Tang, Alexander Golbraikh, Alexander Tropsha:
Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F. J. Chem. Inf. Model. 48(5): 997-1013 (2008)
Coauthor Index
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