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Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping
收藏  |  浏览/下载:65/0  |  提交时间:2019/07/29
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
收藏  |  浏览/下载:24/0  |  提交时间:2017/12/11
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li
收藏  |  浏览/下载:29/0  |  提交时间:2017/05/19
BACE1  AD  HQSAR  CoMFA  CoMSIA  
Protein-based alignment in 3D-QSAR of FBPase inhibitors 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2011, 卷号: 46, 期号: 3, 页码: 885-892
作者:  Yi, Ping;  Di, Ying-Tong;  Liu, Wei;  Hao, Xiao-Jiang;  Ming, Yong
收藏  |  浏览/下载:16/0  |  提交时间:2012/04/10
3D-QSAR  GOLD  CoMFA  FBPase  
3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 卷号: 45, 期号: 2, 页码: 667-681
作者:  Pan, Xulin;  Tan, Ninghua;  Zeng, Guangzhi;  Huang, Huoqiang;  Yan, He
收藏  |  浏览/下载:14/0  |  提交时间:2012/03/21


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