中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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上海药物研究所 [32]
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期刊论文 [98]
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Molecular modeling studies of [4-(3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine-based CDK4 inhibitors
期刊论文
OAI收割
FUTURE MEDICINAL CHEMISTRY, 2021, 卷号: 13, 期号: 16, 页码: 1317-1339
作者:
Lv, Han
;
Du, Yongli
;
Sheng, Xiehuang
;
Gao, Zhipei
;
Shen, Jingkang
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/03/21
abemaciclib
CDK4
CoMFA
CoMSIA
MD simulation
3D-QSAR
Designing of novel ERR gamma inverse agonists by molecular modeling studies of docking and 3D-QSAR on hydroxytamoxifen derivatives
期刊论文
OAI收割
MEDICINAL CHEMISTRY RESEARCH, 2019, 卷号: 28, 期号: 10, 页码: 1661-1673
作者:
Li, Rui
;
Du, Yongli
;
Shen, Jingkang
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/07/01
ERR gamma inverse agonist
Molecular docking
3D-QSAR
CoMFA
CoMSIA
Molecular modelling studies on cinnoline-based BTK inhibitors using docking and structure-based 3D-QSAR
期刊论文
OAI收割
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2018, 卷号: 29, 期号: 11, 页码: 847-873
作者:
Li, R.
;
Du, Y.
;
Shen, J.
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2019/01/08
BTK inhibitors
B-cell malignancies
molecule docking
3D-QSAR
CoMFA
CoMSIA
Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4
作者:
Li, Rui
;
Du, Yongli
;
Gao, Zhipei
;
Shen, Jingkang
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/01/08
rheumatoid arthritis (RA)
Broton's tyrosine kinase (BTK)
carbazole carboxamide derivatives
3D-QSAR
comparative molecular field analysis (CoMFA)
comparative molecular similarity indices analysis (CoMSIA)
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
OAI收割
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:34/0
  |  
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
OAI收割
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:32/0
  |  
提交时间:2019/01/08
BACE1
AD
HQSAR
CoMFA
CoMSIA
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives
期刊论文
OAI收割
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:18/0
  |  
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
OAI收割
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:22/0
  |  
提交时间:2019/01/08
AChE
AD
HQSAR
CoMFA
CoMSIA
Huprines inhibitors
Genotoxicity of quinolones: Substituents contribution and transformation products QSAR evaluation Using 2D and 3D models
期刊论文
OAI收割
CHEMOSPHERE, 2014, 卷号: 95, 期号: 1, 页码: 220-226
Li, Min
;
Wei, Dongbin
;
Zhao, Huimin
;
Du, Yuguo
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2015/03/24
Quinolone
Genotoxicity
QSAR
CoMFA
CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors
期刊论文
OAI收割
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:19/0
  |  
提交时间:2019/01/08
AChE inhibitors
atom-fit alignment
CoMFA
CoMSIA
database alignment
HQSAR
multi-fit alignment
QSAR