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兰州大学 [17]
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期刊论文 [17]
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2016 [1]
2014 [4]
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pharmacol... [17]
chemistry [9]
biochemist... [4]
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Inhibition of Monoamine Oxidase by Stilbenes from Rheum palmatum
期刊论文
IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH, 2016, 卷号: 15, 期号: 1-4, 页码: 885-892
作者:
Wei, B
;
Yang, ZD
;
Shi, DF
;
Yao, XJ
;
Wang, MG
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/05/08
Stilbenes
Monoamine oxidase inhibitors
Rheum palmatum
Molecular modeling
A combination of pharmacophore modeling, virtual screening, and molecular docking studies for a diverse set of colchicine site inhibitors
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 11, 页码: 4713-4723
作者:
Li, HH
;
Liu, T
;
Xuan, HX
;
Fang, SB
;
Zhao, CY
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/29
Colchicine binding site inhibitors
Pharmacophore
Virtual screening
Docking
Molecular modeling study on the structural basis of binding mechanism of C6-substituted phthalides with monoamine oxidases
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 8, 页码: 3624-3631
作者:
Li, PZ
;
Tian, YL
;
Zhai, HL
;
Deng, FF
;
Xie, MH
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/05/21
Phthalide
Monoamine oxidase
Binding mode
Molecular docking
Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598
期刊论文
ANTIVIRAL RESEARCH, 2014, 卷号: 104
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
HCV NS5B polymerase
Mutation-induced drug resistance
Molecular docking
MD simulation
Binding free energy calculation
Residue interaction network
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 2
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
期刊论文
CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 1
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
Antimalarial activity
dug design
malaria
molecular design
multiple linear regression (MLR)
1,4-Naphthoquinonyl derivatives
QSAR
radial basis function neural network (RBFNN)
Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435
期刊论文
ANTIVIRAL RESEARCH, 2012, 卷号: 93, 期号: 1
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
HCV NS3/4A protease
TMC435
Drug resistance
Substrate envelope
Molecular dynamics simulations
Study on the Anticancer Activity of Coumarin Derivatives by Molecular Modeling
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 78, 期号: 4
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
anticancer activity
CoMFA
CoMSIA
coumarin
docking
protein kinase 2
Binding studies of phloridzin with human serum albumin and its effect on the conformation of protein
期刊论文
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2011, 卷号: 56, 期号: 2
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
Phloridzin
Human serum albumin (HSA)
Three-dimensional (3D) fluorescence
Fourier transformation infrared spectra (FT-IR)
Molecular modeling
Interaction of 3 '-azido-3 '-deamino daunorubicin with human serum albumin: Investigation by fluorescence spectroscopy and molecular modeling methods
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2010, 卷号: 20, 期号: 23
-
收藏
  |  
浏览/下载:147/0
  |  
提交时间:2014/12/05
3 '-Azido-3 '-deamino daunorubicin (ADNR)
Human serum albumin (HSA)
Fluorescence quenching
Molecular modeling
Synchronous fluorescence
UV-vis absorption spectrum
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