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科研机构
上海药物研究所 [5]
昆明植物研究所 [3]
河南大学 [3]
中国科学院大学 [2]
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期刊论文 [13]
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2017 [3]
2016 [3]
2015 [1]
2013 [1]
2010 [1]
2009 [1]
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Chemistry,... [1]
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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
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, 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:2019/01/08
BACE1
AD
HQSAR
CoMFA
CoMSIA
Combined HQSAR, topomer CoMFA, homology modeling and docking studies on triazole derivatives as SGLT2 inhibitors
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2017, 卷号: 9, 期号: 9, 页码: 847-858
作者:
Yu, Shuling[1]
;
Yuan, Jintao[2]
;
Zhang, Yi[3]
;
Gao, Shufang[4]
;
Gan, Ying[5]
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/23
hologram QSAR
molecular docking
topomer CoMFA
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
作者:
Zhang, Shuqun
;
Hou, Bo
;
Yang, Huaiyu
;
Zuo, Zhili
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2016/08/22
AChE
AD
HQSAR
CoMFA
CoMSIA
Huprines inhibitors
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
作者:
Zhang, Shuqun
;
Hou, Bo
;
Yang, Huaiyu
;
Zuo, Zhili
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
AChE
AD
HQSAR
CoMFA
CoMSIA
Huprines inhibitors
QSAR models for predicting octanol/water and organic carbon/water partition coefficients of polychlorinated biphenyls
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2016, 卷号: 27, 期号: 4, 页码: 249-263
作者:
Yu, S.[1]
;
Gao, S.[2]
;
Gan, Y.[3]
;
Zhang, Y.[4]
;
Ruan, X.[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
Quantitative structure-property relationship
polychlorinated biphenyls
octanol-water partition coefficient
organic carbon-water partition coefficient
hologram quantitative structure-activity relationship
HQSAR and topomer CoMFA for predicting melanocortin-4 receptor binding affinities of trans-4-(4-chlorophenyl) pyrrolidine-3-carboxamides
期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2015, 卷号: 146, 页码: 34-41
作者:
Yu, Shuling[1]
;
Yuan, Jintao[2]
;
Shi, Jiahua[3]
;
Ruan, Xiaojiao[4]
;
Zhang, Ting[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/23
Melanocortin-4 receptor
Binding affinity
Hologram QSAR
Topomer CoMFA
Docking
Piperazinecyclohexanes
CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors
期刊论文
CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 3, 页码: 385-395
作者:
Jiang, Yu-Ren
;
Yang, Yan-Yan
;
Chen, Yu-Ling
;
Liang, Zhong-Jie
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
AChE inhibitors
atom-fit alignment
CoMFA
CoMSIA
database alignment
HQSAR
multi-fit alignment
QSAR
Studies on two types of ptp1b inhibitors for the treatment of type 2 diabetes: hologram qsar for oba and bbb analogues
期刊论文
Bioorganic & medicinal chemistry letters, 2010, 卷号: 20, 期号: 11, 页码: 3329-3337
作者:
Cheng, Yuanhua
;
Zhou, Mei
;
Tung, Chen-Ho
;
Ji, Mingjuan
;
Zhang, Fushi
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/05/10
Hqsar
Ptp1b
Inhibitors
Oba
Bbb
2D-and 3D-QSAR studies on 54 anti-tumor Rubiaceae-type cyclopeptides
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 卷号: 44, 期号: 9, 页码: 3425-3432
作者:
Yan, He
;
Pan, Xulin
;
Tan, Ninghua
;
Fan, Junting
;
Zeng, Guangzhi
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/04/05
Rubiaceae-type cyclopeptides
HQSAR
CoMFA
CoMSIA
Anti-tumor activity
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