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科研机构
兰州大学 [93]
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期刊论文 [91]
会议论文 [2]
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2016 [3]
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chemistry [46]
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浏览/检索结果:
共93条,第1-10条
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Exploring the binding mechanism of Heteroaryldihydropyrimidines and Hepatitis B Virus capsid combined 3D-QSAR and molecular dynamics
期刊论文
ANTIVIRAL RESEARCH, 2017, 卷号: 137, 页码: 151-164
作者:
Tu, J
;
Li, JJ
;
Shan, ZJ
;
Zhai, HL
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2017/05/08
Heteroaryldihydropyrimidines (HAPs)
HBV capsid protein
Quantitative structure-activity relationship
Molecular dynamics
Binding free energy
QSAR models for predicting the toxicity of halogenated phenols to Tetrahymena
期刊论文
TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY, 2016, 卷号: 99, 期号: 2, 页码: 273-284
作者:
Chen, Xiao Hui
;
Shan, Zhi Jie
;
Zhai, Hong Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/12
Halogenated phenols
Tetrahymena
quantitative structure-activity relationship
molecular design
Design and Synthesis of a Novel Series of Opioid Dipeptides and Evaluation of Their Analgesic Effect in Vivo
期刊论文
ACTA CHIMICA SINICA, 2016, 卷号: 74, 期号: 1, 页码: 44-48
作者:
Liu, X
;
Zhao, L
;
Wang, Y
;
Mou, LY
;
Zhang, YX
收藏
  |  
浏览/下载:110/0
  |  
提交时间:2017/01/10
opioid peptide
antinociception
structure-activity relationship
blood-brain barrier
unnatural amino acid
Studies on the IC50 of Trisubstituted Thiazoles as Cdc7 Kinase Inhibitors
期刊论文
LETTERS IN DRUG DESIGN & DISCOVERY, 2016, 卷号: 13, 期号: 1, 页码: 33-42
作者:
Yang, HZ
;
Liu, X
;
Ye, ZL
;
Song, FC
;
Cui, LH
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Gene expression programming
IC50
kinase inhibitors
quantitative structure activity relationship
cell division cycle 7
trisubstituted thiazoles
Ligand Efficiency Outperforms pIC(50) on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2015, 卷号: 86, 期号: 6, 页码: 1501-1517
作者:
Li, JZ
;
Bai, F
;
Liu, HX
;
Gramatica, P
;
Li, JZ (reprint author), Lanzhou Univ, Sch Pharm, 199 West Donggang Rd, Lanzhou 730000, Peoples R China.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
androgen receptor antagonist
comparative molecular field analysis
ligand efficiency
multiple linear regression
surface efficiency index
Perspectives on Biologically Active Camptothecin Derivatives
期刊论文
MEDICINAL RESEARCH REVIEWS, 2015, 卷号: 35, 期号: 4, 页码: 753-789
作者:
Liu, YQ
;
Li, WQ
;
Morris-Natschke, SL
;
Qian, KD
;
Yang, L
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
camptothecins
DNA topoisomerase I
biological activities
structure-activity relationship
Synthesis, Biological Activities, and Quantitative Structure-Activity Relationship (QSAR) Study of Novel Camptothecin Analogues
期刊论文
MOLECULES, 2015, 卷号: 20, 期号: 5, 页码: 8634-8653
作者:
Wu, D
;
Zhang, SY
;
Liu, YQ
;
Wu, XB
;
Zhu, GX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
camptothecin
synthesis
biological activity
SAR analysis
CoMFA
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2015, 卷号: 18, 期号: 9, 页码: 834-845
作者:
Wang, YW
;
Bai, F
;
Cao, H
;
Li, JZ
;
Liu, HX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Androgen receptor (AR)
comparative molecular field analysis (CoMFA)
prostate cancer (PCa)
comparative molecular similarity indices analysis (CoMSIA)
multiple linear regression (MLR)
Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents
期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 40, 页码: 31700-31707
作者:
Yu, X
;
Shi, DF
;
Zhi, XY
;
Li, Q
;
Yao, XJ
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/01/11
Insights into the Asymmetric Heterogeneous Catalysis in Porous Organic Polymers: Constructing A TADDOL-Embedded Chiral Catalyst for Studying the Structure-Activity Relationship
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2014, 卷号: 20, 期号: 35, 页码: 11019-11028
作者:
An, WK
;
Han, MY
;
Wang, CA
;
Yu, SM
;
Zhang, Y
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  |  
浏览/下载:8/0
  |  
提交时间:2015/05/21
chirality
heterogeneous catalysis
NMR spectroscopy
polymers
reaction mechanisms
structure-activity relationships
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