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Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
浏览  |  Adobe PDF(371Kb)  |  收藏  |  浏览/下载：194/40  |  提交时间：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
Multicomplex-Based Pharmacophore-Guided 3D-QSAR Studies of N-Substituted 2'-(Aminoaryl)Benzothiazoles as Aurora-A Inhibitors 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 卷号: 79, 期号: 6, 页码: 960-971
作者:  He, Gu;  Qiu, Minghua;  Li, Rui;  Ouyang, Liang;  Wu, Fengbo;  Song, Xiangrong;  Cheng, Li;  Xiang, Mingli;  Yu, Luoting
Adobe PDF(1377Kb)  |  收藏  |  浏览/下载：340/103  |  提交时间：2012/06/07
3d-qsar  Aurora-a  Kinase Inhibitors  Multicomplex-based Pharmacophore(Mcbp)  Pharmacophore  
Molecular docking-based 3D-QSAR studies of pyrrolo[3,4-c]pyrazole derivatives as Aurora-A inhibitors 期刊论文
MOLECULAR SIMULATION, 2011, 卷号: 37, 期号: 1, 页码: 31-42
He, G.; Qiu, M. H.; Li, R.; Song, X. R.; Zheng, X.; Shi, J. Y.; Xu, G. B.; Han, J.; Yu, L. T.; Yang, S. Y.; Chen, L. J.; Wei, Y. Q.
浏览  |  Adobe PDF(551Kb)  |  收藏  |  浏览/下载：394/127  |  提交时间：2012/10/12
Pyrrolo[3  4-c]Pyrazole Derivatives  3d-qsar  Molecular Docking  Comfa  Comsia  Kinase Inhibitors  Protein-kinase  Pharmacophore Model  Similarity Indexes  Analysis Comsia  Potent  Identification  Binding  Profile  Comfa  
New 7,20 : 14,20-diepoxy ent-kauranoids from Isodon xerophilus 期刊论文
JOURNAL OF NATURAL PRODUCTS, 2000, 卷号: 63, 期号: 5, 页码: 599-601
作者:  Hou, AJ;  Li, ML;  Jiang, B;  Lin, ZW;  Ji, SY;  Zhou, YP;  Sun, HD
Adobe PDF(89Kb)  |  收藏  |  浏览/下载：192/76  |  提交时间：2012/03/21
Protein-kinase Activities  Absolute-configurations  Tannins  Polygalloylglucoses  Inhibitors  Tea