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科研机构
大连理工大学 [13]
内容类型
期刊论文 [12]
专利 [1]
发表日期
2014 [13]
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共13条,第1-10条
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发表日期:2014
专题:大连理工大学
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The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach
期刊论文
7th International Conference on Marine Pollution and Ecotoxicology, 2014, 卷号: 85, 页码: 516-521
作者:
Li, Fei
;
Li, Renmin
;
Yang, Xianhai
;
You, Liping
;
Zhao, Jianmin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/09
Organophosphate flame retardants (OPFRs) p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Multiple linear regression (MLR)
Discovery of Potent HDAC Inhibitors Based on Chlamydocin with Inhibitory Effects on Cell Migration
期刊论文
CHEMMEDCHEM, 2014, 卷号: 9, 页码: 627-637
作者:
Wang, Shimiao
;
Li, Xiaohui
;
Wei, Yingdong
;
Xiu, Zhilong
;
Nishino, Norikazu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/09
cell migration
chlamydocin analogues
cyclic tetrapeptides
docking
HDAC inhibitors
Structural Analysis for Colchicine Binding Site-Targeted ATCAA Derivatives as Melanoma Antagonists
期刊论文
MEDICINAL CHEMISTRY, 2014, 卷号: 10, 页码: 277-286
作者:
Zhang, Jiawei
;
Li, Feng
;
Li, Yan
;
Guo, Yangyang
;
Wang, Jinghui
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
3D-QSAR
colchicine binding site
docking
melanoma cancer antagonists
Insight into the Structural Features of Pyrazolopyrimidine- and Pyrazolopyridine-based B-Raf(V600E) Kinase Inhibitors by Computational Explorations
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2014, 卷号: 83, 页码: 643-655
作者:
Li, Yan
;
Han, Chunxiao
;
Wang, Jinghui
;
Yang, Yinfeng
;
Zhang, Jingxiao
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
B-Raf(V600E) kinase
Pyrazolopyrimidine- and pyrazolopyridine-based inhibitors
3D-QSAR
docking
md
Exploring unsymmetrical dyads as efficient inhibitors against the insect beta-N-acetyl-D-hexosaminidase OfHex2
期刊论文
BIOCHIMIE, 2014, 卷号: 97, 页码: 152-162
作者:
Chen, Qi
;
Guo, Peng
;
Xu, Lin
;
Liu, Tian
;
Qian, Xuhong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
beta-N-Acetyl-D-hexosaminidase
Enzyme inhibitors
Molecular docking
Naphthalimide
Tryptophan fluorescence titration
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, 页码: 13-22
作者:
Zhang, Lihui
;
Liu, Tianjun
;
Wang, Xia
;
Wang, Jinan
;
Li, Guohui
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Pyrimidine derivatives
Human A(2A) adenosine receptor
Molecular docking
Molecular dynamics
Thermodynamic analysis
3D-QSAR
Structural insight into the binding complex: beta-arrestin/CCR5 complex
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2014, 卷号: 32, 页码: 866-875
作者:
Stambouli, Nejla
;
Dridi, Mehdi
;
Wei, Ning-Ning
;
Jlizi, Asma
;
Bouraoui, Abderahmen
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
CCR5
docking
normal mode analysis
beta-arrestin
HIV
molecular dynamics
A comparison of various optimization algorithms of protein-ligand docking programs by fitness accuracy
期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 页码: -
作者:
Guo, Liyong
;
Yan, Zhiqiang
;
Zheng, Xiliang
;
Hu, Liang
;
Yang, Yongliang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/09
Protein-ligand docking
AutoDock software
Optimization algorithms
Evolutionary algorithms (EAs)
Particle swarm optimizations (PSOs)
Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2014, 卷号: 1074, 页码: 294-301
作者:
Li, Yan
;
He, Haoran
;
Wang, Jinghui
;
Han, Chunxiao
;
Feng, Jiaqi
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/09
Migraine
CGRP receptor antagonist
3D-QSAR
Molecular docking
Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014, 卷号: 15, 页码: 15475-15502
作者:
Wu, Mingwei
;
Li, Yan
;
Fu, Xinmei
;
Wang, Jinghui
;
Zhang, Shuwei
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/09
MCHR1
3D-QSAR
molecular docking
MD simulation
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