中国科学院机构知识库网格
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Structure-Based Ligand Discovery Targeting the Transmembrane Domain of Frizzled Receptor FZD7
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 14
作者:
Li, Cuixia
;
Wu, Yiran
;
Wang, Wenli
;
Xu, Lu
;
Zhou, Yan
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/10/17
Perfluoro-tert-butyl Group-Derived Capmatinib: Synthesis, Biological Evaluation and Its Application in F-19 Magnetic Resonance Imaging
期刊论文
OAI收割
CHEMBIOCHEM, 2023, 页码: 9
作者:
Zhang, Xinnan
;
Wang, Luting
;
Huang, Ruimin
;
Wang, Jingbo
;
Yan, Qifan
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/10/17
F-19 MRI
Capmatinib derivatives
Targeted imaging
Fluorinated derivatization
Bioimaging
URSOLIC ACID DERIVATIVES BEARING 1,2,3-TRIAZOLE MOIETIES AS POTENTIAL PTP1B INHIBITORS
期刊论文
OAI收割
CHEMISTRY OF NATURAL COMPOUNDS, 2023, 卷号: 59, 期号: 3, 页码: 508-511
作者:
Liu, Zhe
;
Bai, Xueqian
;
Sheng, Li
;
Sun, Liangpeng
;
Li, Jia
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2023/10/17
ursolic acid
PTP1B inhibitors
dose-dependently
molecular docking
Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2023, 卷号: 226, 页码: 780-792
作者:
Xiang, Yusen
;
Zhai, Guanglei
;
Li, Yaozong
;
Wang, Mengge
;
Chen, Xixiang
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/04/10
SARS-CoV-2
S-RBD
Ginkgolic acid
DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening
期刊论文
OAI收割
METHODS, 2022, 卷号: 205, 页码: 247-262
作者:
Zhang, Haiping
;
Zhang, Tingting
;
Saravanan, Konda Mani
;
Liao, Linbu
;
Wu, Hao
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/07/12
Native like protein-ligand
Drug virtual screening
ResNet
Deep learning
Human pancreatic alpha amylase inhibitor
Dual-target Signal Simulation of Very Long baseline Interferometry for Chang'E-5
期刊论文
OAI收割
PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC, 2022, 卷号: 134, 期号: 1038, 页码: 11
作者:
Zhao, Xu
;
Zheng, Wei-Min
;
Tong, Li
;
Ma, Mao-Li
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/09/19
An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2022, 卷号: 10, 页码: 13
作者:
Zhang, Haiping
;
Gong, Xiaohua
;
Peng, Yun
;
Saravanan, Konda Mani
;
Bian, Hengwei
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/12/07
antiviral agent
RdRp
compound specificity estimation
virtual screening
tubeimoside III
2,2 ',4,4 '-Tetrabromodiphenyl Ether (PBDE 47) Selectively Stimulates Proatherogenic PPAR gamma Signatures in Human THP-1 Macrophages to Contribute to Foam Cell Formation
期刊论文
OAI收割
CHEMICAL RESEARCH IN TOXICOLOGY, 2022, 卷号: 35, 期号: 6, 页码: 1023-1035
作者:
Ren, Qidong
;
Xie, Xinni
;
Zhao, Chuanfang
;
Wen, Qing
;
Pan, Ruiying
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/11/08
ACTIVATED-RECEPTOR-GAMMA
BROMINATED FLAME RETARDANTS
ACID-BINDING PROTEIN
GENE-EXPRESSION
LIGAND-BINDING
DIPHENYL ETHERS
INDOOR DUST
EXPOSURE
CD36
ACCUMULATION
Rational Design by Structural Biology of Industrializable, Long-Acting Antihyperglycemic GLP-1 Receptor Agonists
期刊论文
OAI收割
PHARMACEUTICALS, 2022, 卷号: 15
作者:
Sun, Lei
;
Zheng, Zhi-Ming
;
Shao, Chang-Sheng
;
Zhang, Zhi-Yong
;
Li, Ming-Wei
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/22
glucagon-like peptide-1
GLP-1 receptor agonist
functional protein design
molecular dynamics simulation
long-acting antihyperglycemic
Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery
期刊论文
OAI收割
FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 卷号: 9, 页码: 15
作者:
Zhang, Haiping
;
Lin, Xiao
;
Wei, Yanjie
;
Zhang, Huiling
;
Liao, Linbu
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/07
extremely large-scale virtual screening
deep learning
DFCNN
Trypsin I Protease
de novo drug screening