2025
5ERRα-Predictor: A Framework of Ensemble Models for Prediction of ERRα Binders, Antagonists, and Agonists Using Artificial Intelligence
Authors:
Le Xiong, Jiahao Xu, Hongbo Yu, Weihua Li, Xinmin Li, Wenxiang Song, Jingwei Zhang, Yun Tang*, Guixia Liu*
Journal:
Journal of Chemical Information and Modeling
Information
2025
| 65(13)
| 6809–6822
Fluor-Predictor: An Interpretable Tool for Multiproperty Prediction and Retrieval of Fluorescent Dyes
Authors:
Wenxiang Song, Le Xiong, Xinmin Li, Yuyang Zhang, Binya Wang, Guixia Liu, Weihua Li, Youjun Yang*, Yun Tang*
Journal:
Journal of Chemical Information and Modeling
Information
2025
| 65(6)
| 2868–2881
2024
4MedChatZH: A tuning LLM for traditional Chinese medicine consultations
Authors:
Yang Tan, Zhixing Zhang, Mingchen Li, Fei Pan, Hao Duan, Zijie Huang, Hua Deng, Zhuohang Yu, Chen Yang, Guoyang Shen, Peng Qi, Chengyuan Yue, Yuxian Liu, Liang Hong, Huiqun Yu, Guisheng Fan, Yun Tang
Journal:
Computers in Biology and Medicine
Information
2024
| Vol.172
| 108290
2022
16IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method
Authors:
Chaofeng Lou, Hongbin Yang, Jiye Wang, Mengting Huang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang*
Journal:
Journal of Chemical Information and Modeling
Information
2022
| 62(11)
| 2788–2799
Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking
Authors:
Dongping Li, Kexin Jiang, Dan Teng, Zengrui Wu, Weihua Li, Yun Tang*, Rui Wang*, Guixia Liu*
Journal:
Journal of Chemical Information and Modeling
Information
2022
| 62(3)
| 486–497
2021
9In silico prediction of mitochondrial toxicity of chemicals using machine learning methods
Authors:
Piaopiao Zhao, Yayuan Peng, Xuan Xu, Zhiyuan Wang, Zengrui Wu, Weihua Li, Yun Tang*, Guixia Liu*
Journal:
J. Appl. Toxicol.
Information
2021
| Vol.DOI
| 10
Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction
Authors:
Xiaoxiao Zhang, Minjie Xu, Zengrui Wu, Guixia Liu, Yun Tang, Weihua Li*
Journal:
ChemMedChem
Information
2021
| Vol.DOI
| 10
Twin drug design, synthesis and evaluation of diosgenin derivatives as multitargeted agents for the treatment of vascular dementia
Authors:
Guixiang Yang, Jiamin Sun, Lulu Zheng, Li Zhang, Jie Li, Haixian Gan, Yan Huang, Jin Huang, Xingxing Diao, Yun Tang*, Rui Wang*, Lei Ma*
Journal:
Bioorg. Med. Chem.
Information
2021
| Vol.37
| 116109
Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures
Authors:
Zengrui Wu, Qiaohui Wang, Hongbin Yang, Jiye Wang, Weihua Li, Guixia Liu, Yi Yang, Yuzheng Zhao*, Yun Tang*
Journal:
J. Chem. Inf. Model.
Information
2021
| 61(5)
| 2486-2498
2020
14Drug repositioning by prediction of drug's anatomical therapeutic chemical code via network-based inference approaches
Authors:
Yayuan Peng, Manjiong Wang, Yixiang Xu, Zengrui Wu, Jiye Wang, Chao Zhang, Guixia Liu, Weihua Li, Jian Li*, Yun Tang*
Journal:
Briefings Bioinf.
Information
2020
| 22(2)
| 2058–2072
MetaADEDB 2
Authors:
Zhuohang Yu, Zengrui Wu*, Weihua Li, Guixia Liu, Yun Tang*
Journal:
0: a comprehensive database on adverse drug events. Bioinformatics
Information
2020
| Vol.DOI
| 10
2019
13Design, synthesis and biological evaluation of chalcones as reversers of P-glycoprotein-mediated multidrug resistance
Authors:
Huanhuan Yin, Jingjing Dong, Yingchun Cai, Ximeng Shi, Hao Wang, Guixia Liu, Yun Tang*, Jianwen Liu*, Lei Ma*
Journal:
Eur. J. Med. Chem.
Information
2019
| Vol.180
| 350-366
Design, synthesis and evaluation of diosgenin carbamate derivatives as multitarget anti-Alzheimer's disease agents
Authors:
Guixiang Yang, Yan Huang, Lulu Zheng, Li Zhang, Lin Su, Yuhang Wu, Jie Li, Licheng Zhou, Jin Huang, Yun Tang*, Rui Wang*, Lei Ma*
Journal:
Eur. J. Med. Chem.
Information
2019
| Vol.187
| 111913
2018
14Modified rivaroxaban microparticles for solid state properties improvement based on drug-protein/polymer supramolecular interactions
Authors:
Ning Chen, Peiwen Di, Shangqi Ning, Wenjun Jiang, Qiufang Jing, Guobin Ren, Yan Liu, Yun Tang, Zhongyu Xu, Guixia Liu*, Fuzheng Ren*
Journal:
Powder Technol.
Information
2018
| Vol.344
| 819–829
2017
14Insights into the molecular mechanisms of Polygonum multiflorum Thunb-induced liver injury: a computational systems toxicology approach
Authors:
Yinyin Wang, Jie Li, Zengrui Wu, Bo Zhang, Hongbin Yang, Qin Wang, Yingchun Cai, Guixia Liu, Weihua Li, Yun Tang*
Journal:
Acta Pharmacol. Sin.
Information
2017
| 38(5)
| 719-732
Improving the physicochemical properties of bicalutamide by complex formation with bovine serum albumin
Authors:
Congbin Yang, Peiwen Di, Jinping Fu, Hui Xiong, Qiufang Jing, Guobin Ren, Yun Tang, Wenyun Zheng, Guixia Liu*, Fuzheng Ren*
Journal:
Eur. J. Pharm. Sci.
Information
2017
| Vol.106
| 381-392
Quantitative and systems pharmacology 2
Authors:
Zengrui Wu, Weiqiang Lu, Weiwei Yu, Tianduanyi Wang, Weihua Li, Guixia Liu, Hankun Zhang, Xiufeng Pang, Jin Huang, Mingyao Liu*, Feixiong Cheng*, Yun Tang*
Journal:
In silico polypharmacology of G protein-coupled receptor ligands via network-based approaches. Pharmacol. Res.
Information
2017
| Vol.129
| 400-413
Network pharmacological mechanisms of Vernonia anthelmintica (L
Authors:
Jiye Wang, Hong Chen, Yinyin Wang, Xiaoqin Wang, Hanying Chen, Mei Zhang, Yun Tang*, Bo Zhang*
Journal:
) in the treatment of vitiligo: Isorhamnetin induction of melanogenesis via up-regulation of melanin-biosynthetic genes. BMC Syst. Biol.
Information
2017
| 11(1)
| 103
2016
9Effects of protein flexibility and active site water molecules on the prediction of sites of metabolism for cytochrome P450 2C19 substrates
Authors:
Junhao Li, Jinya Cai, Haixia Su, Hanwen Du, Juan Zhang, Shihui Ding, Guixia Liu, Yun Tang*, Weihua Li*
Journal:
Mol. BioSyst.
Information
2016
| 12(3)
| 868-878
SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug–target interactions and drug repositioning
Authors:
Zengrui Wu, Feixiong Cheng, Jie Li, Weihua Li, Guixia Liu, Yun Tang*
Journal:
Brief Bioinform.
Information
2016
| Vol.DOI
| 10
In silico prediction of chemical mechanism of action via an improved network-based inference method
Authors:
Zengrui Wu, Weiqiang Lu, Dang Wu, Anqi Luo, Hanping Bian, Jie Li, Weihua Li, Guixia Liu, Jin Huang*, Feixiong Cheng, Yun Tang*
Journal:
Br. J. Pharmacol.
Information
2016
| 173(23)
| 3372-3385
2015
10Discovery of New Non-Steroidal Farnesoid X Receptor Modulators Through 3D Shape Similarity Search and Structure-Based Virtual Screening
Authors:
Lei Wang, Pei Si, Yayun Sheng, Yingjie Chen, Ping Wan, Xu Shen, Yun Tang, Lili Chen*, Weihua Li*
Journal:
Chem. Biol. Drug Des.
Information
2015
| Vol.85
| 481-487
FXR antagonism of NSAIDs contributes to drug-induced liver injury identified by systems pharmacology approach
Authors:
Weiqiang Lu, Feixiong Cheng, Jing Jiang, Chen Zhang, Xiaokang Deng, Zhongyu Xu, Shien Zou*, Xu Shen, Yun Tang*, Jin Huang*
Journal:
Scientific Reports
Information
2015
| Vol.5
| 8114
2014
6Selective ligands of estrogen receptor β discovered using pharmacophore mapping and structure-based virtual screening
Authors:
Lei Chen, Dang Wu, Hanping Bian, Guanglin Kuang, Jing Jiang, Weihua Li, Guixia Liu, Shien Zou*, Jin Huang, Yun Tang*
Journal:
Acta Pharmacol. Sin.
Information
2014
| Vol.35
| 1333-1341
2013
82012
19Novel triazolyl bis-amino acid derivatives readily synthesized via click chemistry as potential corrosion inhibitors for mild steel in HCl
Authors:
Qiong Deng, Hong-Wei Shi, Bao-Qin Chen, Xiao-Peng He, Guixia Liu, Yun Tang, Yi-Tao Long, Guo-Rong Chen
Journal:
Corros. Sci.
Information
2012
| Vol.57
| 220-227
In Silico Investigation of Interactions between Human Cannabinoid Receptor-1 and Its Antagonists
Authors:
Guanglin Kuang, Guoping Hu, Xianqiang Sun, Weihua Li, Guixia Liu, Yun Tang*
Journal:
J. Mol. Model.
Information
2012
| 18(8)
| 3831-3845
Lee* and Yun Tang*
Authors:
Feixiong Cheng, Yutaka Ikenaga, Yadi Zhou, Yue Yu, Weihua Li, Jie Shen, Zheng Du, Lei Chen, Congyin Xu, Guixia Liu, Philip W
Journal:
In Silico Assessment of Chemical Biodegradability. J. Chem. Inf. Model.
Information
2012
| 52(3)
| 655-669
Investigation of indazole unbinding pathways in CYP2E1 by molecular dynamics simulations
Authors:
Zhonghua Shen, Feixiong Cheng, You Xu, Jing Fu, Wen Xiao, Jie Shen, Guixia Liu, Weihua Li*, and Yun Tang*
Journal:
PLoS One
Information
2012
| 7(3)
| e33500
Synthesis and biological evaluation of quinazoline and quinoline bearing 2,2,6,6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors and EPR bio-probe agents
Authors:
Siyuan Li, Chunying Guo, Xianqiang Sun, Yaozong Li, Hongli Zhao, Dongmei Zhan, Minbo Lan*, Yun Tang*
Journal:
Euro. J. Med. Chem.
Information
2012
| Vol.49
| 271-278
Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening
Authors:
Siyuan Li, Xianqiang Sun, Hongli Zhao, Yun Tang*, Minbo Lan*
Journal:
Bioorg. Med. Chem. Lett.
Information
2012
| 22(12)
| 4004-4009
Discovery and Structure-Activity Analysis of Selective Estrogen Receptor Modulators via Similarity-Based Virtual Screening
Authors:
Jie Shen, Jing Jiang, Guanglin Kuang, Chengfang Tan, Guixia Liu, Jin Huang*, and Yun Tang*
Journal:
Euro. J. Med. Chem.
Information
2012
| Vol.54
| 188-196
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening
Authors:
Guoping Hu, Guanglin Kuang, Wen Xiao, Weihua Li, Guixia Liu, Yun Tang*
Journal:
J. Chem. Inf. Model
Information
2012
| 52(5)
| 1103-1113
Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening
Authors:
Cui Li, Weiqiang Lu, Chunhua Lu, Wen Xiao,Xu Shen, Jin Huang, Guixia Liu*, Yun Tang*
Journal:
J. Mol. Model.
Information
2012
| Vol.18
| 4033-4042
Concise CuI-Catalyzed Azide-Alkyne 1,3-Dipolar Cycloaddition Reaction Ligation Remarkably Enhances the Corrosion Inhibitive Potency of Natural Amino Acids for Mild Steel in HCl
Authors:
Qiong Deng, Xiaopeng He, Hongwei Shi, Baoqin Chen, Guixia Liu, Yun Tang, Yitao Long, Guorong Chen, and Kaixian Chen
Journal:
Ind. Eng. Chem. Res.
Information
2012
| Vol.51
| 7160-7169
Synthesis, Structure–Activity Relationship, and Pharmacophore Modeling Studies of Pyrazole-3-Carbohydrazone Derivatives as Dipeptidyl Peptidase IV Inhibitors
Authors:
Deyan Wu, Fangfang Jin, Weiqiang Lu, Jin Zhu, Cui Li, Wei Wang, Yun Tang, Hualiang Jiang, Jin Huang, Guixia Liu, and Jian Li
Journal:
Chem. Biol. Drug. Des.
Information
2012
| Vol.79
| 897-906
Discovery of Inhibitors to Block Interactions of HIV-1 Integrase with Human LEDGF/p75 via Structure-Based Virtual Screening and Bioassays
Authors:
Guoping Hu, Xi Li, Xuan Zhang, Yaozong Li, Lei Ma, Liumeng Yang, Guixia Liu, Weihua Li, Jin Huang, Xu Shen, Lihong Hu, Yongtang Zheng and Yun Tang*
Journal:
J. Med. Chem.
Information
2012
| Vol.55
| 10108-10117
Identification of old drugs as potential inhibitors of HIV-1 integrase-human LEDGF/p75 interaction via molecular docking
Authors:
Guoping Hu, Xi Li, Xianqiang Sun, Weiqiang Lu Guixia Liu, Jin Huang, Xu Shen and Yun Tang
Journal:
J. Mol. Model
Information
2012
| Vol.18
| 4995-5003
2011
13Insights into binding modes of 5-HT2c receptor antagonists with ligand-based and receptor-based methods
Authors:
Chunhua Lu, Fangfang Jin, Cui Li, Weihua Li, Guixia Liu*, Yun Tang*
Journal:
J Mol Model
Information
2011
| 17(10)
| 2513-2523
Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods
Authors:
Jianxin Cheng, Guixia Liu*, Jing Zhang, Zhejun Xu and Yun Tang*
Journal:
J Mol Model.
Information
2011
| Vol.17
| 477-493
Crucial role of the first CXXC motif of human QSOX 1b in protein thiol oxidation
Authors:
Zheng Wenyun, Chu Yanyan, Yin Qin, Xu Lei, Yang Charles, Zhang Wenyao, Tang Yun*, Yang Yi*
Journal:
J. Biochemistry
Information
2011
| 149(3)
| 293-300
Computational investigation of interactions between human H2 receptor and its agonists
Authors:
Sun Xianqiang, Li Yaozong, Li Weihua, Xu Zhejun, Tang Yun*
Journal:
J. Mol. Graph. Modelling
Information
2011
| 29(5)
| 693-701
Identification of small molecular inhibitors for Ero1p by structure-based virtual screening
Authors:
Chu Yanyan, Chen Xianjun, Yang Yi*, Tang Yun*
Journal:
Bioorg. Med. Chem. Lett.
Information
2011
| 21(4)
| 1118-1121
Lee, Tang Yun*
Authors:
Cheng Feixiong, Shen Jie, Yu Yue, Li Weihua*, Liu Guixia, Philip W
Journal:
In silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods. Chemosphere
Information
2011
| 82(11)
| 1636-1643
Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations
Authors:
Weihua Li, Jie Shen, Guixia Liu, Tang Yun*, Tyuji Hoshino*
Journal:
Proteins
Information
2011
| 79(1)
| 271-281
Possible Ligand Release Pathway of Dipeptidyl Peptidase IV Investigated by Molecular Dynamics Simulations
Authors:
Cui Li, Jie Shen, Weihua Li, Chunhua Lu, Guixia Liu*, Yun Tang*
Journal:
Proteins: Structure, Function and Bioinformatics.
Information
2011
| 79(6)
| 1800-1809
Lee, and Yun Tang*
Authors:
Feixiong Cheng, Yue Yu, Jie Shen, Lei Yang, Weihua Li*, Guixia Liu, Philip W
Journal:
Classification of Cytochrome P450 Inhibitors and non-Inhibitors using Combined Classifiers. J. Chem. Inf. Model.
Information
2011
| 51(5)
| 996-1011
Computational insights into the different catalytic activities of CYP2A13 and CYP2A6 on NNK
Authors:
You Xu, Zhonghua Shen, Jie Shen, Guixia Liu, Weihua Li*, and Yun Tang*
Journal:
J. Mol. Graph. Model.
Information
2011
| Vol.30
| 1-9
Computational Insights into Ligand Selectivity of Estrogen Receprors from Pharmacophore Modeling
Authors:
Jing Fang, Jie Shen, Feixiong Cheng, Zhejun Xu, Guixia Liu, and Yun Tang*
Journal:
Mol. Inf.
Information
2011
| Vol.30
| 539-549
An Unusual (R)-Selective Epoxide Hydrolase with High Activity for Facile Preparation of Enantiopure Glycidyl Ethers
Authors:
Jing Zhao, Yan-Yan Chu, Ai-Tao Li, Xin Ju, Xu-Dong Kong, Jiang Pan, Yun Tang* and Jian-He Xu*
Journal:
Adv. Synth. Catal.
Information
2011
| Vol.353
| 1510-1518
Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: Novel construction of PTP1B inhibitors on a sugar scaffold
Authors:
Cui Li, Xiao-Peng He, Yin-Jie Zhang, Zhen Li, Li-Xin Gao, Xiao-Xin Shi, Juan Xie, Jia Li, Guo-Rong Chen*, Yun Tang*
Journal:
Euro. J. Med. Chem.
Information
2011
| Vol.46
| 4212-4218
2010
6Triazole-linked benzylated glucosyl, galacotosyl and mannosyl monomers and dimmers as novel sugar scaffold-based PTP1B inhibitors
Authors:
Zhang Yinjie, He Xiaopeng, Li Cui, Li Zhen, Shi Detai, Gao Lixin, Qiu Beiying, Shi Xiaoxin, Tang Yun*, Li Jia*, Chen Guorong*
Journal:
Chem. Lett.
Information
2010
| 39(12)
| 1261-1263
Pharmacophore modeling of human adenosine receptor A2A antagonists
Authors:
Zhejun Xu, Feixiong Cheng, Chenxiao Da, Guixia Liu and Yun Tang*
Journal:
J. Mol .Model
Information
2010
| Vol.16
| 1867-1876
Insights into binding modes of adenosine A2B antagonists with ligand-based and receptor-based methods
Authors:
Feixiong Cheng, Zhejun Xu, Liu Guixia and Yun Tang*
Journal:
Euro. J. Med. Chem.
Information
2010
| Vol.45
| 3459-3471
Accuracy Assessment of Protein-Based Docking Programs against RNA Targets
Authors:
Yaozong Li, Jie Shen, Xianqiang Sun, Weihua Li, Guixia Liu, and Yun Tang*
Journal:
J. Chem. Inf. Model
Information
2010
| Vol.50
| 1134-146
Estimation of ADME Properties with Substructure Pattern Recognition
Authors:
Jie Shen, Feixiong Cheng, You Xu, Weihua Li,* and Yun Tang*
Journal:
J. Chem. Inf. Model.
Information
2010
| Vol.50
| 1034-041
Discovery of Potent Ligands for Estrogen Receptor β by Structure-Based Virtual Screening
Authors:
Jie Shen, Chengfang Tan, Yanyan Zhang, Xi Li, Weihua Li, Jin Huang,,Xu Shen and Yun Tang
Journal:
J. Med. Chem.
Information
2010
| Vol.53
| 5361-365
2009
4The crystal structure of a complex of acetylcholinesterase with a bis-(-)-nor-meptazinol derivative reveals disruption of the catalytic triad
Authors:
Paz A, Xie Q, Greenblatt HM, Fu W, Tang Y, Silman I, Qiu ZB, Sussman JL*
Journal:
J. Med. Chem.
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2009
| 52(8)
| 2543-2549
Reduced catalytic activity of P450 2A6 mutants with Coumarin: a computational investigation
Authors:
Li WH, Ode H, Hoshino T*, Liu H, Tang Y*, Jiang HL
Journal:
J. Chem. Theory Comput.
Information
2009
| 5(5)
| 1411-1420
Computational Insights into the Mechanism of Ligand Unbinding and Selectivity of Estrogen Receptors
Authors:
Jie Shen, Weihua Li, Guixia Liu, Yun Tang and Hualiang Jiang
Journal:
J. Phys. Chem. B
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2009
| 113(30)
| 10436-0444
Structure–function analysis of human protein Ero1-La
Authors:
Yanyan Chu, Charles Yang, Xianjun Chen, Wenyun Zheng, Yi Yang* and Yun Tang,*
Journal:
Biochem. Biophys. Res. Comm.
Information
2009
| Vol.389
| 645-650
2008
7Hyrtiosal, from the marine sponge Hyrtios erectus, inhibits HIV-1 integrase binding to viral DNA by a new inhibitor binding site
Authors:
Du L, Shen LL, Yu ZG, Chen J, Guo YW*, Tang Y*, Shen X*, Jiang HL
Journal:
ChemMedChem
Information
2008
| 3(1)
| 173-180
Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations
Authors:
Zeng J, Li WH, Zhao YX, Liu GX*, Tang Y*, Jiang HL
Journal:
J. Phys. Chem. B
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2008
| 112(9)
| 2719-2726
Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking
Authors:
Li WH, Tang Y*, Liu H, Cheng JG, Zhu WL, Jiang HL
Journal:
Proteins
Information
2008
| 71(2)
| 938-949
Insights into the interactions between HIV-1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation
Authors:
Zhao YX, Li WH, Zeng J, Liu GX, Tang Y*
Journal:
Proteins
Information
2008
| 72(2)
| 635-645
In silico prediction of blood-brain partitioning using a chemometric method called genetic algorithm based variable selection
Authors:
Shen J, Du YP, Zhao YX, Liu GX, Tang Y*
Journal:
QSAR Comb. Sci.
Information
2008
| 27(6)
| 704-717
Role of acetylation and extra-cellular location of heat shock protein 90alpha in tumor cell invasion
Authors:
Yang YH, Rao R, Shen J, Tang Y, Fiskus W, Nechtman J, Atadja P, Bhalla K
Journal:
Cancer Res.
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2008
| 68(12)
| 4833-4842
D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75
Authors:
Du L, Zhao YX, Chen J, Yang LM, Zheng YT, Tang Y*, Shen X*, Jiang HL
Journal:
Biochem. Biophys. Res. Comm.
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2008
| 375(1)
| 139-144
2007
2Synthesis of highly functionalized chiral cyclopentanes by catalytic enantio- and diastereoselective double Michael addition reactions
Authors:
Zu L, Li H, Xie H, Wang J, Jiang W, Tang Y*, Wang W*
Journal:
Angew. Chem. Int. Ed.
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2007
| 46(20)
| 3732-3734
Structure-based 3D-QSAR studies on heteroarylpiperazine derivatives as 5-HT3 receptor antagonists
Authors:
Zhou YJ, Zhu LP, Tang Y*, Ye DY*
Journal:
Eur. J. Med. Chem.
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2007
| 42(7)
| 977-984
2006
4Molecular modeling and 3D-QSAR studies of indolomorphinan derivatives as kappa opioid antagonists
Authors:
Li W, Tang Y*, Zheng YL, Qiu ZB*
Journal:
Bioorg. Med. Chem.
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2006
| 14(3)
| 601-610
QSAR study of 4-phenylpiperidine derivatives as mu opioid agonists by neural network method
Authors:
Wang XH, Tang Y*, Xie Q, Qiu ZB*
Journal:
Eur. J. Med. Chem.
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2006
| 41(2)
| 226-232
Action mechanisms and structure–activity relationships of PI3Kγ inhibitors on the enzyme: a molecular modeling study
Authors:
Kuang RR, Qian F, Li Z, Wei DZ*, Tang Y*
Journal:
Eur. J. Med. Chem.
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2006
| 41(4)
| 558-565
New technologies of computer-aided drug design: towards target identification and new chemical entity discovery
Authors:
Tang Y, Zhu WL, Chen KX, Jiang HL*
Journal:
Drug Disc. Today: Technologies
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2006
| 3(3)
| 307-313