中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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长春应用化学研究所 [4]
上海药物研究所 [3]
大连化学物理研究所 [3]
宁波材料技术与工程研... [1]
化学研究所 [1]
重庆绿色智能技术研究... [1]
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OAI收割 [13]
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期刊论文 [13]
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2021 [2]
2020 [1]
2015 [1]
2014 [1]
2013 [2]
2011 [1]
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Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation
期刊论文
OAI收割
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:
Chen, Li
;
Zhao, Shuang
;
Zhu, Yanyan
;
Liu, Yongsheng
;
Li, Huiyu
  |  
收藏
  |  
浏览/下载:56/0
  |  
提交时间:2021/08/17
STING
Small molecule
Binding site
Modulated mechanism
Molecular dynamics simulation
pi-pi stacking interaction
Dinitrogen Activation by Uranium Complex
期刊论文
OAI收割
PROGRESS IN CHEMISTRY, 2021, 卷号: 33, 期号: 6, 页码: 907-913
作者:
Tao, Xuebing
;
Yu, Jipan
;
Mei, Lei
;
Nie, Changming
;
Chai, Zhifang
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/12/01
SMALL-MOLECULE ACTIVATION
OXYGEN VACANCIES
NITROGEN
AMMONIA
CONVERSION
NANOSHEETS
REDUCTION
CLEAVAGE
NITRIDE
BINDING
Difluorinated Oligothiophenes for High-Efficiency All-Small-Molecule Organic Solar Cells: Positional Isomeric Effect of Fluorine Substitution on Performance Variations
期刊论文
OAI收割
SOLAR RRL, 2020, 页码: 10
作者:
Duan, Tainan
;
Gao, Jie
;
Babics, Maxime
;
Kan, Zhipeng
;
Zhong, Cheng
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/08/24
binding energies
fluorination
nonfullerene
organic solar cells
small-molecule donors
Discovery of potent 1H-imidazo[4,5-b]pyridine-based c-Met kinase inhibitors via mechanism-directed structural optimization
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2015, 卷号: 25, 期号: 3, 页码: 708-716
作者:
An, Xiao-De
;
Liu, Hongyan
;
Xu, Zhong-Liang
;
Jin, Yi
;
Peng, Xia
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
c-Met tyrosine kinase
Small molecule inhibitor
Imidazonaphthyridinone
Imidazopyridine
Binding mode
Pyridone-3-carboxamide
Cyclopropane-1,1-dicarboxamide
Small Molecule Inhibitors of Human Adipocyte Fatty Acid Binding Protein (FABP4)
期刊论文
OAI收割
MEDICINAL CHEMISTRY, 2014, 卷号: 10, 期号: 4, 页码: 339-347
作者:
Zhang, Mingming
;
Zhu, Weiliang
;
Li, Yingxia
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08
Fatty acid binding protein 4
FABP4
inhibitor
receptor
small molecule
type 2 diabetes
Pocket-Based Drug Design: Exploring Pocket Space
期刊论文
OAI收割
aaps journal, 2013, 卷号: 15, 期号: 1, 页码: 228-241
Zheng XL
;
Gan LF
;
Wang EK
;
Wang J
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2014/04/18
PROTEIN-LIGAND-BINDING
SMALL-MOLECULE BINDING
STRUCTURAL BASIS
TARGET FLEXIBILITY
TRANSIENT POCKETS
SITE PREDICTION
NORMAL-MODES
RAS PROTEIN
IN-SILICO
DRUGGABILITY
Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity
期刊论文
OAI收割
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2246-2258
Zheng XL
;
Liu ZJ
;
Li D
;
Wang EK
;
Wang J
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2014/04/20
EMPIRICAL SCORING FUNCTIONS
SMALL-MOLECULE INHIBITOR
SELF-ORGANIZING MAP
MARKETED ORAL-DRUGS
LIGAND INTERACTIONS
FLEXIBLE DOCKING
AUTOMATED DOCKING
BINDING-AFFINITY
GENETIC ALGORITHM
COMPOUND COLLECTIONS
Chiral Metallo-Supramolecular Complexes Selectively Induce Human Telomeric G-Quadruplex Formation under Salt-Deficient Conditions
期刊论文
OAI收割
chemistry-a european journal, 2011, 卷号: 17, 期号: 29, 页码: 8209-8215
Zhao CQ
;
Geng J
;
Feng LY
;
Ren JS
;
Qu XG
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2012/06/08
INTRAMOLECULAR G-QUADRUPLEX
CONFORMATIONAL SWITCH
SMALL-MOLECULE
K+ SOLUTION
DNA
BINDING
TELOMESTATIN
LIGANDS
ENANTIOMERS
RESOLUTION
Rapid and efficient screening of Alzheimer's disease beta-amyloid inhibitors using label- free gold nanoparticles
期刊论文
OAI收割
molecular biosystems, 2010, 卷号: 6, 期号: 12, 页码: 2389-2391
Geng J
;
Qu KG
;
Ren JS
;
Qu XG
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/04/25
ADENINE DNA DUPLEX
SMALL-MOLECULE
PEPTIDE AGGREGATION
FIBRIL FORMATION
IN-VITRO
PROTEIN
NEUROTOXICITY
BINDING
HYPOTHESIS
BINDERS
Biological fingerprinting analysis of traditional Chinese medicines with targeting ADME/Tox property for screening of bioactive compounds by chromatographic and MS methods
期刊论文
OAI收割
mini-reviews in medicinal chemistry, 2007, 卷号: 7, 期号: 1, 页码: 87-98
作者:
Su, Xingye
;
Kong, Liang
;
Lei, Xiaoyuan
;
Hu, Lianghai
;
Ye, Mingliang
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2015/11/11
biological fingerprinting analysis (BFA)
natural products
traditional Chinese medicine
screening
bioactive compounds
ADME/Tox
small molecule-biomacromolecule binding