Identification of novel small molecules as inhibitors of hepatitis C virus by structure-based virtual screening
Li, Jing, Liu, Xian, Li, Shanshan, Wang, Yulan, Zhou, Nannan, Luo, Cheng, Luo, Xiaomin, Zheng, Mingyue, Jiang, Hualiang, Chen, Kaixian
Published in International journal of molecular sciences (20.11.2013)
Published in International journal of molecular sciences (20.11.2013)
Get full text
Journal Article
Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family
Li, Fei, Wan, Xiaozhe, Xing, Jing, Tan, Xiaoqin, Li, Xutong, Wang, Yulan, Zhao, Jihui, Wu, Xiaolong, Liu, Xiaohong, Li, Zhaojun, Luo, Xiaomin, Lu, Wencong, Zheng, Mingyue
Published in Frontiers in chemistry (10.05.2019)
Published in Frontiers in chemistry (10.05.2019)
Get full text
Journal Article
Estimation of Carcinogenicity Using Molecular Fragments Tree
Wang, Yong, Lu, Jing, Wang, Fei, Shen, Qiancheng, Zheng, Mingyue, Luo, Xiaomin, Zhu, Weiliang, Jiang, Hualiang, Chen, Kaixian
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Journal Article
An effective docking strategy for virtual screening based on multi-objective optimization algorithm
Li, Honglin, Zhang, Hailei, Zheng, Mingyue, Luo, Jie, Kang, Ling, Liu, Xiaofeng, Wang, Xicheng, Jiang, Hualiang
Published in BMC bioinformatics (11.02.2009)
Published in BMC bioinformatics (11.02.2009)
Get full text
Journal Article
Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?
Shen, Qiancheng, Xiong, Bing, Zheng, Mingyue, Luo, Xiaomin, Luo, Cheng, Liu, Xian, Du, Yun, Li, Jing, Zhu, Weiliang, Shen, Jingkang, Jiang, Hualiang
Published in Journal of chemical information and modeling (28.02.2011)
Published in Journal of chemical information and modeling (28.02.2011)
Get full text
Journal Article
Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies
Liang, Zhongjie, Zhang, Liying, Li, Lianchun, Liu, Jun, Li, Hongling, Zhang, Luyong, Chen, Limin, Cheng, Keguang, Zheng, Mingyue, Wen, Xiaoan, Zhang, Pu, Hao, Jia, Gong, Yanchun, Zhang, Xia, Zhu, Xiaoyun, Chen, Jun, Liu, Hong, Jiang, Hualiang, Luo, Cheng, Sun, Hongbin
Published in European journal of medicinal chemistry (01.06.2011)
Published in European journal of medicinal chemistry (01.06.2011)
Get full text
Journal Article
Enantioselective drug-protein interaction between mexiletine and plasma protein
Yu, Lushan, Hong, Yanjun, Li, Li, Jin, Yingxiu, Zheng, Mingyue, Jiang, Hualiang, Zeng, Su
Published in Journal of pharmacy and pharmacology (01.06.2012)
Published in Journal of pharmacy and pharmacology (01.06.2012)
Get more information
Journal Article
Knowledge-Based Scoring Functions in Drug Design: 3. A Two-Dimensional Knowledge-Based Hydrogen-Bonding Potential for the Prediction of Protein–Ligand Interactions
Zheng, Mingyue, Xiong, Bing, Luo, Cheng, Li, Shanshan, Liu, Xian, Shen, Qianchen, Li, Jing, Zhu, Weiliang, Luo, Xiaomin, Jiang, Hualiang
Published in Journal of chemical information and modeling (28.11.2011)
Published in Journal of chemical information and modeling (28.11.2011)
Get full text
Journal Article
Development of a novel class of B-RafV600E-selective inhibitors through virtual screening and hierarchical hit optimization
Kong, Xiangqian, Qin, Jie, Li, Zeng, Vultur, Adina, Tong, Linjiang, Feng, Enguang, Rajan, Geena, Liu, Shien, Lu, Junyan, Liang, Zhongjie, Zheng, Mingyue, Zhu, Weiliang, Jiang, Hualiang, Herlyn, Meenhard, Liu, Hong, Marmorstein, Ronen, Luo, Cheng
Published in Organic & biomolecular chemistry (01.01.2012)
Published in Organic & biomolecular chemistry (01.01.2012)
Get full text
Journal Article
Structural optimization and biological evaluation of 1,5-disubstituted pyrazole-3-carboxamines as potent inhibitors of human 5-lipoxygenase
Zhou, Yu, Liu, Jun, Zheng, Mingyue, Zheng, Shuli, Jiang, Chunyi, Zhou, Xiaomei, Zhang, Dong, Zhao, Jihui, Ye, Deju, Zheng, Mingfang, Jiang, Hualiang, Liu, Dongxiang, Cheng, Jian, Liu, Hong
Published in Acta pharmaceutica Sinica. B (2016)
Published in Acta pharmaceutica Sinica. B (2016)
Get full text
Journal Article
Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine
Zheng, Mingyue, Liu, Zhiguo, Xue, Chunxia, Zhu, Weiliang, Chen, Kaixian, Luo, Xiaomin, Jiang, Hualiang
Published in Bioinformatics (01.09.2006)
Published in Bioinformatics (01.09.2006)
Get full text
Journal Article
Dynamic Mechanism of Fatty Acid Transport across Cellular Membranes through FadL: Molecular Dynamics Simulations
Zou, Hanjun, Zheng, Mingyue, Luo, Xiaomin, Zhu, Weiliang, Chen, Kaixian, Shen, Jianhua, Jiang, Hualiang
Published in The journal of physical chemistry. B (16.10.2008)
Published in The journal of physical chemistry. B (16.10.2008)
Get full text
Journal Article
Graph neural networks for automated de novo drug design
Xiong, Jiacheng, Xiong, Zhaoping, Chen, Kaixian, Jiang, Hualiang, Zheng, Mingyue
Published in Drug discovery today (01.06.2021)
Published in Drug discovery today (01.06.2021)
Get full text
Journal Article
Indole derivatives as potent inhibitors of 5-lipoxygenase: Design, synthesis, biological evaluation, and molecular modeling
Zheng, Mingfang, Zheng, Mingyue, Ye, Deju, Deng, Yangmei, Qiu, Shuifeng, Luo, Xiaomin, Chen, Kaixian, Liu, Hong, Jiang, Hualiang
Published in Bioorganic & medicinal chemistry letters (01.05.2007)
Published in Bioorganic & medicinal chemistry letters (01.05.2007)
Get full text
Journal Article
In silico prediction of cytochrome P450-mediated site of metabolism (SOM)
Liu, Xian, Shen, Qiancheng, Li, Jing, Li, Shanshan, Luo, Cheng, Zhu, Weiliang, Luo, Xiaomin, Zheng, Mingyue, Jiang, Hualiang
Published in Protein and peptide letters (01.03.2013)
Published in Protein and peptide letters (01.03.2013)
Get more information
Journal Article
SOMEViz: a web service for site of metabolism estimating and visualizing
Shen, Qiancheng, Zheng, Mingyue, Lu, Jing, Luo, Cheng, Zhu, Weiliang, Chen, Kaixian, Luo, Xiaomin, Jiang, Hualiang
Published in Protein and peptide letters (01.09.2012)
Published in Protein and peptide letters (01.09.2012)
Get more information
Journal Article
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
Chen, Lifan, Tan, Xiaoqin, Wang, Dingyan, Zhong, Feisheng, Liu, Xiaohong, Yang, Tianbiao, Luo, Xiaomin, Chen, Kaixian, Jiang, Hualiang, Zheng, Mingyue
Published in Bioinformatics (Oxford, England) (15.08.2020)
Published in Bioinformatics (Oxford, England) (15.08.2020)
Get full text
Journal Article
A triad of lys12, lys41, arg78 spatial domain, a novel identified heparin binding site on tat protein, facilitates tat-driven cell adhesion
Ai, Jing, Xin, Xianliang, Zheng, Mingyue, Wang, Shuai, Peng, Shuying, Li, Jing, Wang, Limei, Jiang, Hualiang, Geng, Meiyu
Published in PloS one (16.07.2008)
Published in PloS one (16.07.2008)
Get full text
Journal Article
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism
Xiong, Zhaoping, Wang, Dingyan, Liu, Xiaohong, Zhong, Feisheng, Wan, Xiaozhe, Li, Xutong, Li, Zhaojun, Luo, Xiaomin, Chen, Kaixian, Jiang, Hualiang, Zheng, Mingyue
Published in Journal of medicinal chemistry (27.08.2020)
Published in Journal of medicinal chemistry (27.08.2020)
Get full text
Journal Article
Characterization of acetyl-CoA and propionyl-CoA carboxylases encoded by Leptospira interrogans serovar Lai: an initial biochemical study for leptospiral gluconeogenesis via anaplerotic CO2 assimilation
Peng, Nanqiu, Zhong, Yi, Zhang, Qing, Zheng, Mingyue, Zhao, Wei, Jiang, Hualiang, Yang, Chen, Guo, Xiaokui, Zhao, Guoping
Published in Acta biochimica et biophysica Sinica (01.08.2012)
Published in Acta biochimica et biophysica Sinica (01.08.2012)
Get full text
Journal Article