KIB OpenIR

Browse/Search Results:  1-10 of 26 Help

Selected(0)Clear Items/Page:    Sort:
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
Authors:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
View  |  Adobe PDF(1542Kb)  |  Favorite  |  View/Download:36/11  |  Submit date:2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906
Authors:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo;  Sun, Wei;  Zhang, Li;  Li, Yan;  Zuo, Zhili
Favorite  |  View/Download:23/0  |  Submit date:2020/03/26
bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors  
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
Authors:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
View  |  Adobe PDF(1591Kb)  |  Favorite  |  View/Download:215/32  |  Submit date:2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Variation in Carbohydrates between Cancer and Normal Cell Membranes Revealed by Super-Resolution Fluorescence Imaging 期刊论文
ADVANCED SCIENCE, 2016, 卷号: 3, 期号: 12, 页码: 1600270
Authors:  Chen, Junling;  Liu, Tianzhou;  Gao, Jing;  Gao, Lan;  Zhou, Lulu;  Cai, Mingjun;  Shi, Yan;  Xiong, Wenyong;  Jiang, Junguang;  Tong, Ti;  Wang, Hongda
View  |  Adobe PDF(3955Kb)  |  Favorite  |  View/Download:155/20  |  Submit date:2017/02/14
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives 期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
Authors:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
View  |  Adobe PDF(1125Kb)  |  Favorite  |  View/Download:151/54  |  Submit date:2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors  
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
Authors:  Yi, Ping;  Di, Ying-Tong;  Liu, Wei;  Hao, Xiao-Jiang;  Ming, Yong;  Huang, Du-Shu;  Yang, Jin;  Yi, Zhong-Zhou;  Li, Zi-Jing;  Yang, Rui-Dong;  Zhang, Ju-Cheng
Adobe PDF(777Kb)  |  Favorite  |  View/Download:327/135  |  Submit date: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
Authors:  Pan, Xulin;  Tan, Ninghua;  Zeng, Guangzhi;  Huang, Huoqiang;  Yan, He
Adobe PDF(2690Kb)  |  Favorite  |  View/Download:341/136  |  Submit date:2012/03/21
Cathepsin k  Comfa  Comsia  Ketoamides  
Visualization of macromolecular structures 期刊论文
nature, 2010, 卷号: 7, 期号: 3s, 页码: S42-S55
Authors:  Seán I O’Donoghue;  David S Goodsell;  Achilleas S Frangakis;  Fabrice Jossinet;  Roman A Laskowski;  Michael Nilges;  Helen R Saibil;  Andrea Schafferhans;  Rebecca C Wade;  Eric Westhof;  Arthur J Olson
Adobe PDF(2064Kb)  |  Favorite  |  View/Download:135/1  |  Submit date:2017/07/26
3D-QSAR studies of Checkpoint Kinase Weel inhibitors based on molecular docking, CoMFA and CoMSIA 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 卷号: 43, 期号: 5, 页码: 925-938
Authors:  Yi, Ping;  Fang, Xin;  Qiu, Minghua
Adobe PDF(2704Kb)  |  Favorite  |  View/Download:254/81  |  Submit date:2011/11/24
3d-qsar  Gold  Comfa  Comsia  Checkpoint Kinase Weel  
3D-QSAR and docking studies of aminopyridine carboxamide inhibitors of c-Jun N-terminal kinase-1 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2008, 卷号: 43, 期号: 3, 页码: 604-613
Authors:  Yi, Ping;  Qiu, Minghua
Adobe PDF(2801Kb)  |  Favorite  |  View/Download:205/109  |  Submit date:2011/11/24
3d-qsar  Gold  Comfa  C-jun N-terminal Kinase-1