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科研机构
昆明医科大学 [9]
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期刊论文 [9]
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2019 [1]
2018 [2]
2017 [2]
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Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase.
期刊论文
Current computer-aided drug design, 2019
作者:
Qiu Kai-Xiong
;
Zhang Wen
;
Yu Fang
;
Li Wei
;
Sun Zhong-Wen
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/04
B-RafV600E Kinase
Type ⅡB Inhibitors
Virtual Screening
Pharmacophore Modelling
Molecular Docking
3D-QSAR
Binding Free Energy Calculation
A manganese-salen complex as dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2018, 卷号: 120
作者:
Zhu, Ming-rong
;
Zhou, Jie
;
Jin, Yi
;
Gao, Li-Hui
;
Li, Ling
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/04
Manganese(II)
Schiff base complex
Enzyme inhibitors
Dipeptidyl peptidase IV
Molecular docking
[Network pharmacology study of Xiaoxuming Decoction based on vasodilatory and vasoconstrictory related GPCR targets].
期刊论文
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 2018, 卷号: 43, 期号: 23
作者:
Lu Wen-Dan
;
Li Li
;
Shen Yan-Jia
;
Zhou Rui
;
Yang Ran
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/04
G protein-coupled receptors
Xiaoxuming Decoction
molecular docking
network pharmacology
Synthesis and characterization of oxidovanadium complexes as enzyme inhibitors targeting dipeptidyl peptidase IV
期刊论文
JOURNAL OF INORGANIC BIOCHEMISTRY, 2017, 卷号: 175
作者:
Xie, Ming-jin
;
Zhu, Ming-rong
;
Lu, Chun-mei
;
Jin, Yi
;
Gao, Li-hui
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/04
Oxidovanadium (IV)
Schiff base complexes
Enzyme inhibitors
Dipeptidyl peptidase N
Molecular docking
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/04
B-Raf kinase inhibitors
Virtual screening
Pharmacophore
Molecular docking
3D QSAR
Binding free energy calculation
Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016, 卷号: 17, 期号: 2
作者:
Du, Xing
;
Li, Yi
;
Xia, Yuan-Ling
;
Ai, Shi-Meng
;
Liang, Jing
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/04
binding mechanisms
thermodynamics
kinetics
binding driving forces
isothermal titration calorimetry (ITC)
surface plasmon resonance (SPR)
fluorescence polarization (FP)
docking
free energy calculations
An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2015, 卷号: 16, 期号: 11
作者:
Xie, Huiding
;
Li, Yupeng
;
Yu, Fang
;
Xie, Xiaoguang
;
Qiu, Kaixiong
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/04
imidazopyridine
B-Raf kinase
molecular docking
molecular dynamic simulation
Computational insights into allosteric interaction between benzoazepin-2-ones and lung cancer-associated PDK1: Implications for activator design
期刊论文
CHEMICAL PAPERS, 2015, 卷号: 69, 期号: 9
作者:
Guo, Gang
;
Yang, Cui
;
Li, Gao-Feng
;
Li, Heng
;
Ma, Qian-Li
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/04
PDK1
molecular docking
MD simulations
allosteric regulation
PIF pocket
Wikstroelide M potently inhibits HIV replication by targeting reverse transcriptase and integrase nuclear translocation
期刊论文
CHINESE JOURNAL OF NATURAL MEDICINES, 2014, 卷号: 12, 期号: 3
作者:
Zheng Yong-Tang
;
Zhang Xuan
;
Huang Sheng-Zhuo
;
Gu Wan-Gang
;
Yang Liu-Meng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/04
Wikstroelide M
Daphnane diterpene
Daphne acutiloba Rehder
HIV
Reverse trascriptase
integrase
Nuclear translocation
Lens epithelium-derived growth factor (LEDGF/p75)
Molecular docking
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