2014

6
#1 2014
Computational models to predict endocrine-disrupting chemical binding with androgen or oestrogen receptors
作者: Yingjie Chen, Feixiong Cheng, Lu Sun, Weihua Li, Guixia Liu, Yun Tang*
期刊: Ecotox. Environ. Safe.
信息: 2014 | Vol.110 | 280-287
#2 2014
Effects of protein flexibility on the site of metabolism prediction for CYP2A6 substrates
作者: Yayun Sheng, Yingjie Chen, Lei Wang, Guixia Liu, Weihua Li*, Yun Tang*
期刊: J. Mol. Graph. Model.
信息: 2014 | Vol.54 | 90-99
#3 2014
In Silico Prediction of Chemical Acute Oral Toxicity Using Multi-Classification Methods
作者: Xiao Li, Lei Chen, Feixiong Cheng, Zengrui Wu, Hanping Bian, Congying Xu, Weihua Li, Guixia Liu, Xu Shen, Yun Tang*
期刊: J. Chem. Inf. Model.
信息: 2014 | 54(4) | 1061-1069
#4 2014
Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors
作者: Xianqiang Sun, Lei Chen, Yaozong Li, Weihua Li, Guixia Liu, Yaoquan Tu*, Yun Tang*
期刊: Acta Pharmacol. Sin.
信息: 2014 | Vol.35 | 301-310
#5 2014
Selective ligands of estrogen receptor β discovered using pharmacophore mapping and structure-based virtual screening
作者: Lei Chen, Dang Wu, Hanping Bian, Guanglin Kuang, Jing Jiang, Weihua Li, Guixia Liu, Shien Zou*, Jin Huang, Yun Tang*
期刊: Acta Pharmacol. Sin.
信息: 2014 | Vol.35 | 1333-1341
#6 2014
Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology
作者: Jie Li, Zengrui Wu, Feixiong Cheng, Weihua Li, Guixia Liu, Yun Tang*
期刊: Scientific Reports
信息: 2014 | Vol.4 | 5576

2013

8
#1 2013
Computational insights into the binding modes of Sr-Rex with cofactor NADH/NAD+ and operator DNA
作者: Yanyan Chu, Weihua Li, Jianfeng Wang, Guixia Liu, Yun Tang*
期刊: J. Mol. Model.
信息: 2013 | 19(8) | 3143-3151
#2 2013
Design, synthesis and biological evaluation of organophosphorous-homodimers as dual binding site acetylcholinesterase inhibitors
作者: Ruliang Xie, Qianfei Zhao, Tao Zhang, Jing Fang , Xiangdong Mei, Jun Ning*, Yun Tang*
期刊: Bioorg. Med. Chem.
信息: 2013 | 21(1) | 278-282
#3 2013
Catalytic Mechanism of Cytochrome P450 2D6 for 4-Hydroxylation of Aripiprazole: A QM/MM Study
作者: Rongwei Shi, Weihua Li, Guixia Liu, Yun Tang*
期刊: Chinese J. Chem.
信息: 2013 | 31(9) | 1219-1227
#4 2013
The role of benzoic acid in proline-catalyzed asymmetric michael addition: A density functional theory study
作者: Hongwei Shi, Xiangui Huang, Guixia Liu*, Kunqian Yu, Congying Xu, Weihua Li, Bubing Zeng*, Yun Tang*
期刊: Int. J. Quantum. Chem.
信息: 2013 | 113(9) | 1339-1348
#5 2013
Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effects and Therapeutic Space
作者: Feixiong Cheng, Weihua Li, Zengrui Wu, Xichuan Wang, Chen Zhang, Jie Li, Guixia Liu and Yun Tang
期刊: J. Chem. Inf. Model.
信息: 2013 | 53(4) | 753-762
#6 2013
Lee, Yun Tang*
作者: Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Li, Jie Shen, Philip W
期刊: Prediction of Human Genes and Diseases Targeted by Xenobiotics Using Predictive Toxicogenomics-Derived Models (PTDMs). Mol. BioSyst
信息: 2013 | 9(6) | 1316-1325
#7 2013
Adverse Drug Events: Database Construction and In Silico Prediction
作者: Feixiong Cheng, Weihua Li, Xichuan Wang, Yadi Zhou, Zengrui Wu, Jie Shen and Yun Tang
期刊: J. Chem. Inf. Model.
信息: 2013 | 53(4) | 744-752
#8 2013
In Silico ADMET Prediction: Recent Advances, Current Challenges and Future Trends
作者: Feixiong Cheng, Weihua Li, Guixia Liu, Yun Tang*
期刊: Curr Top Med Chem
信息: 2013 | 13(11) | 1273-1289
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