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科研机构
大连化学物理研究所 [6]
中国农业科学院 [2]
华中师范大学 [2]
厦门大学 [1]
大连理工大学 [1]
上海药物研究所 [1]
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期刊论文 [14]
发表日期
2013 [14]
学科主题
biochemist... [2]
chemistry,... [2]
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Insight into the Structural Requirements of Benzimidazole Derivatives as Interleukin-2 Inducible T-cell Kinase Inhibitors by Computational Explorations
期刊论文
international journal of quantum chemistry, 2013, 卷号: 113, 期号: 21, 页码: 2385-2396
作者:
Wang, Jinghui
;
Li, Feng
;
Li, Yan
;
Yang, Yinfeng
;
Wang, Bin
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/11/09
3D-QSAR
ITK inhibitors
comparative molecular field analysis
comparative molecular similarity indices analysis
molecular dynamics
docking
Biogeography: Where do we go from here?
期刊论文
TAXON, 2013, 卷号: 62, 期号: 5, 页码: 912-927
作者:
Wen, Jun
;
Ree, Richard H.
;
Ickert-Bond, Stefanie M.
;
Nie, Zelong
;
Funk, Vicki
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2015/05/13
biogeography
biogeography data portal
historical biogeography
parametric models
phylogenomics
phylogeography
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:12/0
  |  
提交时间:2019/01/08
AChE inhibitors
atom-fit alignment
CoMFA
CoMSIA
database alignment
HQSAR
multi-fit alignment
QSAR
Profiling the Structural Determinants of Heteroarylnitrile Scaffold-Based Derivatives as Falcipain-2 Inhibitors by In Silico Methods
期刊论文
current medicinal chemistry, 2013, 卷号: 20, 期号: 15, 页码: 2032-2042
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Zhang, Shuwei
;
Yang, Ling
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2015/11/09
falcipain-2
3D-QSAR
molecular docking
molecular dynamics
Design, Synthesis, Antifungal Activities and 3D-QSAR of New N,N '-Diacylhydrazines Containing 2,4-Dichlorophenoxy Moiety
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 21741-21756
作者:
Sun, Na-Bo
;
Shi, Yan-Xia
;
Liu, Xing-Hai
;
Ma, Yi
;
Tan, Cheng-Xia
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2017/04/17
N
N-diacylhydrazines
antifungal activity
synthesis
three-dimensional quantitative structure-activity relationships (3D-QSAR)
Design, Synthesis, Antifungal Activities and 3D-QSAR of New N,N '-Diacylhydrazines Containing 2,4-Dichlorophenoxy Moiety
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 21741-21756
作者:
Sun, Na-Bo
;
Shi, Yan-Xia
;
Liu, Xing-Hai
;
Ma, Yi
;
Tan, Cheng-Xia
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/04/23
N
N-diacylhydrazines
antifungal activity
synthesis
three-dimensional quantitative structure-activity relationships (3D-QSAR)
Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
期刊论文
http://dx.doi.org/10.1021/ic400485y, 2013
Kan, Jinglan
;
Wang, Hailong
;
Sun, Wei
;
Cao, Wei
;
Tao, Jun
;
Jiang, Jianzhuang
;
陶军
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
COMPLEXES
PHTHALOCYANINATO
ELECTROCHEMISTRY
MAGNETIZATION
SPECTROSCOPY
DISTANCE
LIGANDS
ANGLE
SMMS
Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis
期刊论文
molecular biosystems, 2013, 卷号: 9, 期号: 3, 页码: 386-397
作者:
Wu, Qian
;
Gao, Qingping
;
Guo, Huanmei
;
Li, Dan
;
Wang, Jinghui
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2015/11/09
An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors
期刊论文
molecular biosystems, 2013, 卷号: 9, 期号: 9, 页码: 2266-2281
作者:
Li, Yan
;
Gao, Weimin
;
Li, Feng
;
Wang, Jinghui
;
Zhang, Jingxiao
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2015/11/09
Structure determinants of indolin-2-on-3-spirothiazolidinones as MptpB inhibitors: An in silico study
期刊论文
soft matter, 2013, 卷号: 9, 期号: 46, 页码: 11054-11077
作者:
Yang, Yinfeng
;
Wang, Jinghui
;
Li, Yan
;
Xiao, Wei
;
Wang, Zhenzhong
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/09
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