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科研机构
上海药物研究所 [21]
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期刊论文 [21]
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2019 [1]
2018 [1]
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Structure-Based Survey of the Binding Modes of BACE1 Inhibitors
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 2, 页码: 880-889
作者:
Hu, Hangchen
;
Chen, Zhaoqiang
;
Xu, Xiang
;
Xuo, Yechun
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/07/01
BACE1
Alzheimer's disease
inhibitor
ligand binding mode
subsite
substructure
Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7
作者:
Yuan, Xiaojing
;
Xu, Yechun
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/01/08
GPCR
receptor-ligand recognition
drug design
molecular modeling
molecular dynamics
docking
binding affinity
binding pathway
Bavachinin, as a novel natural pan-PPAR agonist, exhibits unique synergistic effects with synthetic PPAR-gamma and PPAR-alpha agonists on carbohydrate and lipid metabolism in db/db and diet-induced obese mice
期刊论文
DIABETOLOGIA, 2016, 卷号: 59, 期号: 6, 页码: 1276-1286
作者:
Feng, Li
;
Luo, Huan
;
Xu, Zhijian
;
Yang, Zhuo
;
Du, Guoxin
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  |  
浏览/下载:47/0
  |  
提交时间:2019/01/08
Alternative binding site
Bavachinin
Canonical ligand-binding pocket
Carbohydrate metabolism
Lipid metabolism
Pan-PPAR agonist
Synergistic effects
Insights into the structure of class B GPCRs
期刊论文
TRENDS IN PHARMACOLOGICAL SCIENCES, 2014, 卷号: 35, 期号: 1, 页码: 12-22
作者:
Hollenstein, Kaspar
;
de Graaf, Chris
;
Bortolato, Andrea
;
Wang, Ming-Wei
;
Marshall, Fiona H.
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  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
class B G protein-coupled receptor (GPCR)
glucagon receptor (GCGR)
corticotropin-releasing factor receptor 1 (CRF1)
crystal structure
ligand binding
Solution structure and backbone dynamics of human Raf-1 kinase inhibitor protein
期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2013, 卷号: 438, 期号: 1, 页码: 129-132
作者:
Guo, Chenyun
;
Yi, Cuiying
;
Peng, Yu
;
Wen, Yi
;
Lin, Donghai
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  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
Human Raf-1 kinase inhibitor protein (hRKIP)
Solution structure
Ligand-binding pocket
NMR
Model-free analysis
Protein dynamics
Characterization of the oligomerization and ligand-binding properties of recombinant rat lipocalin 11
期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2013, 卷号: 1834, 期号: 1, 页码: 1-7
作者:
Gu, Yina
;
Liu, Qiang
;
Chen, Peiyan
;
Guo, Chenyun
;
Liu, Yan
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  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
Lipocalin
Lcn11
Dimer
Disulfide bond
Ligand-binding
beta-barrel
Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures
期刊论文
METHODS, 2012, 卷号: 57, 期号: 1, 页码: 25-39
作者:
Sponer, Jiri
;
Cang, Xiaohui
;
Cheatham, Thomas E., III
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  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
Molecular dynamics simulations
Guanine quadruplex
DNA ligand binding
Force field limitations
Force field development
Tyrosine sulfation in N-terminal domain of human C5a receptor is necessary for binding of chemotaxis inhibitory protein of Staphylococcus aureus
期刊论文
ACTA PHARMACOLOGICA SINICA, 2011, 卷号: 32, 期号: 8, 页码: 1038
作者:
Liu Zhenjia
;
Yang Yanjuan
;
Jiang Lei
;
Xu Yingchun
;
Wang Aixia
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/12/24
CHEMOKINE RECEPTORS
LIGAND-BINDING
ANAPHYLATOXIN
RECOGNITION
RESIDUES
C5L2
Staphylococcus aureus
chemotaxis inhibitory protein
tyrosine sulfation
post-translational modification
chemotactic receptor
C5aR
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