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科研机构
大连理工大学 [8]
内容类型
期刊论文 [8]
发表日期
2011 [8]
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发表日期:2011
专题:大连理工大学
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Studies of New Fused Benzazepine as Selective Dopamine D3 Receptor Antagonists Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 1196-1221
作者:
Liu, Jing
;
Li, Yan
;
Zhang, Shuwei
;
Xiao, Zhengtao
;
Ai, Chunzhi
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/18
3D-QSAR
dopamine D3 receptor
antagonist
CoMFA
CoMSIA
Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin alpha(v)beta(3)/alpha(IIb)beta(3) dual antagonists using 3D-QSAR and molecular docking
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2011, 卷号: 29, 页码: 747-762
作者:
Yan, Yulian
;
Li, Yan
;
Zhang, Shuwei
;
Ai, Chunzhi
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/18
3D-QSAR
Integrin alpha(v)beta(3)
Integrin alpha(IIb)beta(3)
Antagonist
CoMFA
CoMSIA
Insight into the Structural Requirements of Benzothiadiazine Scaffold-Based Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
CURRENT MEDICINAL CHEMISTRY, 2011, 卷号: 18, 页码: 4019-4028
作者:
Zhang, H-X.
;
Li, Y.
;
Wang, X.
;
Xiao, Z-T.
;
Wang, Y-H.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/18
HCV NS5B
benzothiadiazine scaffold-based inhibitors
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2011, 卷号: 30, 页码: 67-81
作者:
Wang, Fangfang
;
Ma, Zhi
;
Li, Yan
;
Zhu, Shanna
;
Xiao, Zhengtao
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/18
CDK2
Inhibitors
CoMFA
CoMSIA
Molecular docking
Molecular dynamics
In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 8161-8180
作者:
Hao, Ming
;
Zhang, Xiaole
;
Ren, Hong
;
Li, Yan
;
Zhang, Shuwei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/18
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
Combined 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Derivatives of Peptide Epoxyketone and Tyropeptin-Boronic Acid as Inhibitors Against the beta 5 Subunit of Human 20S Proteasome
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 1807-1835
作者:
Liu, Jianling
;
Zhang, Hong
;
Xiao, Zhengtao
;
Wang, Fangfang
;
Wang, Xia
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/18
ubiquitin-proteasome
3D-QSAR
CoMFA
CoMSIA
homology modeling
molecular docking
molecular dynamics
Investigation of the Structure Requirement for 5-HT6 Binding Affinity of Arylsulfonyl Derivatives: A Computational Study
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 5011-5030
作者:
Hao, Ming
;
Li, Yan
;
Li, Hanqing
;
Zhang, Shuwei
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/18
5-HT6
3D-QSAR
CoMFA
CoMSIA
molecular dynamics
Investigation on Quantitative Structure Activity Relationships and Pharmacophore Modeling of a Series of mGluR2 Antagonists
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2011, 卷号: 12, 页码: 5999-6023
作者:
Zhang, Meng-Qi
;
Zhang, Xiao-Le
;
Li, Yan
;
Fan, Wen-Jia
;
Wang, Yong-Hua
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/18
3D-QSAR
mGluR2 antagonist
CoMFA
CoMSIA
pharmacophore modeling
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