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Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 11, 页码: 2672-2685
Authors:  Xu, Youjun;  Pei, Jianfeng;  Lai, Luhua
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Allosteric sites can be identified based on the residue-residue interaction energy difference 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2015, 卷号: 83, 期号: 8, 页码: 1375-1384
Authors:  Ma, Xiaomin;  Qi, Yifei;  Lai, Luhua
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Allosteric Site Identification  Mm  Gbsa  Energy Decomposition  Residue-residue Interaction Energy  Cavity  
Bacterial chemoreceptors and chemoeffectors 期刊论文
CELLULAR AND MOLECULAR LIFE SCIENCES, 2015, 卷号: 72, 期号: 4, 页码: 691-708
Authors:  Bi, Shuangyu;  Lai, Luhua
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Chemotactic Response  Receptor  Ligand  Molecular Mechanism  Receptor Design  
Discovery of highly potent TNF alpha inhibitors using virtual screen 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 85, 页码: 119-126
Authors:  Shen, Qi;  Chen, Jing;  Wang, Qian;  Deng, Xiaobing;  Liu, Ying;  Lai, Luhua
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Tnf Alpha  Virtual Screen  Small Molecule Inhibitors  
Systems Biology Brings New Dimensions for Structure-Based Drug Design 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 卷号: 136, 期号: 33, 页码: 11556-11565
Authors:  Pei, Jianfeng;  Yin, Ning;  Ma, Xiaomin;  Lai, Luhua
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Discovery of Novel Secretory Phospholipase A(2) Inhibitors Using Virtual Screen 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2014, 卷号: 84, 期号: 2, 页码: 216-222
Authors:  Qiu, Shunchen;  Chen, Fangjin;  Liu, Ying;  Lai, Luhua
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Continuous Fluorescence Assay  Drug Design  Novel Inhibitor  Secretory Phospholipase a(2)  Virtual Screen  
The minimal alpha-crystallin domain of Mj Hsp 16.5 is functional at non-heat-shock conditions 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2014, 卷号: 82, 期号: 7, 页码: 1156-1167
Authors:  Xi, Dong;  Wei, Ping;  Zhang, Changsheng;  Lai, Luhua
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Mj Hsp16.5  Small Heat Shock Protein  Alpha-crystallin Domain  Beta-strand Exchange Loop  Chaperone-like Activity  Protein Aggregation  Mechanism  
Benzo[d] isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E-2 synthase-1 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2014, 卷号: 24, 期号: 12, 页码: 2764-2767
Authors:  Shang, Erchang;  Wu, Yiran;  Liu, Pei;  Liu, Ying;  Zhu, Wei;  Deng, Xiaobing;  He, Chong;  He, Shan;  Li, Cong;  Lai, Luhua
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5-lipoxygenase  Microsomal Prostaglandin E-2 Synthase  Dual Functional Inhibitor  Benzo[d] Isothiazole 1  1-dioxide  
iDrug: a web-accessible and interactive drug discovery and design platform 期刊论文
JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6
Authors:  Wang, Xia;  Chen, Haipeng;  Yang, Feng;  Gong, Jiayu;  Li, Shiliang;  Pei, Jianfeng;  Liu, Xiaofeng;  Jiang, Hualiang;  Lai, Luhua;  Li, Honglin
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Online Drug Design Platform  Cavity Detection  Pharmacophore Search  3d Similarity Calculation  Target Prediction  
Discovery of Novel Allosteric Effectors Based on the Predicted Allosteric Sites for Escherichia coli D-3-Phosphoglycerate Dehydrogenase 期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 4
Authors:  Wang, Qian;  Qi, Yifei;  Yin, Ning;  Lai, Luhua
Favorite  |  View/Download:2/0  |  Submit date:2019/04/09