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科研机构
大连化学物理研究所 [17]
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期刊论文 [13]
会议论文 [4]
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2014 [2]
2013 [4]
2012 [6]
2011 [2]
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物理化学 [17]
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Large-scale characterization of intact N-glycopeptides using an automated glycoproteomic method
期刊论文
journal of proteomics, 2014, 卷号: 110, 期号: 1, 页码: 145-154
作者:
Cheng, Kai
;
Chen, Rui
;
Seebun, Deeptee
;
Ye, Mingliang
;
Figeys, Daniel
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/16
N-glycoproteomics
Mass spectrometry
Glycan structure
Software platform
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, 期号: 1, 页码: 13-22
作者:
Zhang, Lihui
;
Liu, Tianjun
;
Wang, Xia
;
Wang, Jinan
;
Li, Guohui
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2015/11/16
Pyrimidine derivatives
Human A(2A) adenosine receptor
Molecular docking
Molecular dynamics
Thermodynamic analysis
3D-QSAR
An integrated microfluidic device for characterizing chondrocyte metabolism in response to distinct levels of fluid flow stimulus
期刊论文
microfluidics and nanofluidics, 2013, 卷号: 15, 期号: 6, 页码: 763-773
作者:
Zhong, Weiliang
;
Ma, Huipeng
;
Wang, Shouyu
;
Gao, Xinghua
;
Zhang, Weiguo
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2014/09/11
Microfluidic
Flow shear stress
Chondrocyte
Mechanical microenvironment
UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS
期刊论文
journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 8, 页码: 1341003
作者:
Fu, Ting
;
Wu, Xue
;
Xiu, Zhilong
;
Wang, Jinguang
;
Yin, Liu
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2014/09/11
Aurora A
molecular dynamics simulations
MM-PB/GBSA
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin
期刊论文
biochemistry, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
作者:
Qiao, Yan
;
Han, Keli
;
Zhan, Chang-Guo
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2014/09/11
A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family
期刊论文
journal of computational chemistry, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635
作者:
Pang, Xueqin
;
Han, Keli
;
Cui, Qiang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2014/09/11
DNA repair enzymes
molecular dynamics
non-heme iron
crystal packing
protein-DNA interaction
Systematic Analysis of Protein Phosphorylation Networks From Phosphoproteomic Data
期刊论文
molecular & cellular proteomics, 2012, 卷号: 11, 期号: 10, 页码: 1070-1083
作者:
Song, Chunxia
;
Ye, Mingliang
;
Liu, Zexian
;
Cheng, Han
;
Jiang, Xinning
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2013/10/11
Structure Requirements for 4-Aryl-4H-Chromenes as Apoptosis Inducers Using 3D QSAR Methods and Docking Studies
期刊论文
asian journal of chemistry, 2012, 卷号: 24, 期号: 6, 页码: 2450-2460
作者:
Liu, Zhen
;
Li, Yan
;
Ren, Hong
;
Zhang, Shuwei
;
Wang, Yonghua
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/10/11
Chromenes
Apoptosis inducer
CoMFA
CoMSIA
Caspase-3
Tubulin
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:27/0
  |  
提交时间:2013/10/11
Protein kinase C theta
CoMFA
CoMSIA
3D-QSAR
Molecular docking
Molecular dynamics
Identification of Novel Potential beta-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations
期刊论文
international journal of molecular sciences, 2012, 卷号: 13, 期号: 4, 页码: 4545-4563
作者:
Liu, Jianling
;
Liu, Mengmeng
;
Yao, Yao
;
Wang, Jinan
;
Li, Yan
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2013/10/11
beta-N-acetyl-D-hexosaminidase
OfHex1
inhibitor
virtual screening
molecular dynamics
MM/PBSA
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