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科研机构
大连理工大学 [15]
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期刊论文 [12]
会议论文 [3]
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2016 [1]
2014 [2]
2013 [1]
2012 [5]
2011 [2]
2010 [3]
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专题:大连理工大学
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Computational Analysis of Structure-Based Interactions for Novel H-1-Antihistamines
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016, 卷号: 17
作者:
Yang, Yinfeng
;
Li, Yan
;
Pan, Yanqiu
;
Wang, Jinghui
;
Lin, Feng
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/09
3D-QSAR
H-1-antihistamines
docking
molecular dynamics
Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists
期刊论文
BIOSYSTEMS, 2014, 卷号: 115, 页码: 13-22
作者:
Zhang, Lihui
;
Liu, Tianjun
;
Wang, Xia
;
Wang, Jinan
;
Li, Guohui
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Pyrimidine derivatives
Human A(2A) adenosine receptor
Molecular docking
Molecular dynamics
Thermodynamic analysis
3D-QSAR
Structural insight into the binding complex: beta-arrestin/CCR5 complex
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2014, 卷号: 32, 页码: 866-875
作者:
Stambouli, Nejla
;
Dridi, Mehdi
;
Wei, Ning-Ning
;
Jlizi, Asma
;
Bouraoui, Abderahmen
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
CCR5
docking
normal mode analysis
beta-arrestin
HIV
molecular dynamics
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, 页码: 2385-2396
作者:
Wang, Jinghui
;
Li, Feng
;
Li, Yan
;
Yang, Yinfeng
;
Wang, Bin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
3D-QSAR
ITK inhibitors
comparative molecular field analysis
comparative molecular similarity indices analysis
molecular dynamics
docking
Probing the structural requirements of A-type Aurora kinase inhibitors using 3D-QSAR and molecular docking analysis
期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 页码: 1107-1122
作者:
Zhang, Hui-xiao
;
Li, Yan
;
Wang, Xia
;
Wang, Yong-hua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/13
Aurora-A
Inhibitor
3D-QSAR
CoMFA
CoMSIA
Molecular docking
Exploring the structure requirement for KC theta inhibitory activity of pyridinecarbonitrile derivatives: an in silico analysis
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2012, 卷号: 34, 页码: 76-88
作者:
Li, Yan
;
Hao, Ming
;
Ren, Hong
;
Zhang, Shuwei
;
Wang, Xia
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/13
Protein kinase C theta
CoMFA
CoMSIA
3D-QSAR
Molecular docking
Molecular dynamics
Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis
期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 页码: 3227-3242
作者:
Wang, Fangfang
;
Ma, Zhi
;
Li, Yan
;
Wang, Jinan
;
Wang, Yonghua
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/13
Checkpoint kinase 1
Molecular docking
Molecular dynamics
Quantitative structure activity relationship
Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: An in silico analysis
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2012, 卷号: 38, 页码: 112-122
作者:
Li, Yan
;
Wu, Wenzhao
;
Ren, Hong
;
Wang, Jinghui
;
Zhang, Shuwei
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/13
PDE5
Pyrazinone-based inhibitors
3D-QSAR
Molecular docking
Molecular dynamics
Multi-scale optimization model and algorithm for computer-aided molecular docking
会议论文
2012 8th International Conference on Natural Computation, ICNC 2012, Chongqing, 2012-05-29
作者:
Kang L.
;
Wang X.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/18
Nitroreductase activity of ferredoxin reductase BphA4 from Dyella ginsengisoli LA-4 by catalytic and structural properties analysis
期刊论文
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2011, 卷号: 89, 页码: 655-663
作者:
Qu, Yuanyuan
;
Zhou, Hao
;
Li, Ang
;
Ma, Fang
;
Zhou, Jiti
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/18
Ferredoxin reductase
Nitroreductase
Molecular docking
Homology modeling
Dyella ginsengisoli
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