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山东大学 [8]
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期刊论文 [36]
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2010 [40]
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Structure-Based Quantitative Structure-Activity Relationship Studies of Checkpoint Kinase 1 Inhibitors
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 15
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
checkpoint kinase 1
quantitative structure-activity relationship
molecular docking
genetic algorithm-multiple linear regression
comparative molecular field analysis
Structure-based investigation on the binding interaction of hydroxylated polybrominated diphenyl ethers with thyroxine transport proteins
期刊论文
TOXICOLOGY, 2010, 卷号: 277, 期号: 3, 页码: 20-28
Cao, Jie
;
Lin, Yuan
;
Guo, Liang-Hong
;
Zhang, Ai-Qian
;
Wei, Yin
;
Yang, Yu
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2015/07/31
Hydroxylated polybrominated diphenyl ether
Thyroid hormone transport protein
Fluorescence
Circular dichroism
Molecular docking
Theoretical studies on the interactions of XIAP-BIR3 domain with bicyclic and tricyclic core monovalent Smac mimetics
期刊论文
journal of molecular graphics & modelling, 2010, 卷号: 29, 期号: 3, 页码: 354-362
作者:
Ling, Baoping
;
Dong, Lihua
;
Zhang, Rui
;
Wang, Zhiguo
;
Liu, Yongjun
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2011/12/13
Smac mimetics
Caspase-9
XIAP-BIR3
Molecular docking
Molecular dynamics simulations
Binding free energy
3D-QSAR and Molecular Docking Studies on Derivatives of MK-0457, GSK1070916 and SNS-314 as Inhibitors against Aurora B Kinase
期刊论文
international journal of molecular sciences, 2010, 卷号: 11, 期号: 11, 页码: 4326-4347
作者:
Zhang, Baidong
;
Li, Yan
;
Zhang, Huixiao
;
Ai, Chunzhi
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/12
Aurora B
drug design
3D-QSAR
CoMFA
CoMSIA
molecular docking
homology modeling
Study of interaction between syringin and human serum albumin by multi-spectroscopic method and atomic force microscopy
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2010, 卷号: 983, 期号: 1-3
-
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  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
Syringin
Human serum albumin
Fluorescence
Molecular docking
Atomic force microscopy
Studies of Benzothiadiazine Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
current medicinal chemistry, 2010, 卷号: 17, 期号: 25, 页码: 2788-2803
作者:
Wang, X.
;
Yang, W.
;
Xu, X.
;
Zhang, H.
;
Li, Y.
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/12
HCV NS5B
benzothiadiazine analogs
allosteric site
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
Studies of Benzothiadiazine Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
current medicinal chemistry, 2010, 卷号: 17, 期号: 25, 页码: 2788-2803
作者:
Wang, X.
;
Yang, W.
;
Xu, X.
;
Zhang, H.
;
Li, Y.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/12
HCV NS5B
benzothiadiazine analogs
allosteric site
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
STUDY ON THE INTERACTIONS OF Smac MIMETICS WITH XIAP-BIR3 DOMAIN BY DOCKING AND MOLECULAR DYNAMICS SIMULATIONS
期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010, 卷号: 9, 期号: 4, 页码: 797-812
作者:
Ling, Baoping
;
Zhang, Rui
;
Wang, Zhiguo
;
Liu, Yongjun
;
Liu, Chengbu
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2011/12/13
Inhibitor Of Apoptosis Protein (Iap)
Smac Mimetics
Molecular Docking
Molecular Dynamics Simulations
Binding Free Energy
Investigation of Binding Features: Effects on the Interaction between CYP2A6 and Inhibitors
期刊论文
journal of computational chemistry, 2010, 卷号: 31, 期号: 9, 页码: 1822-1831
作者:
Ai, Chunzhi
;
Li, Yan
;
Wang, Yonghua
;
Li, Wei
;
Dong, Peipei
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2010/11/30
CYP2A6-ligand interaction
docking
molecular electrostatic potential
molecular lipophilic potential
orbital energies
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