中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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上海药物研究所 [75]
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期刊论文 [195]
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DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation
期刊论文
OAI收割
BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12
作者:
Gao, Changnan
;
Bao, Wenjie
;
Wang, Shuang
;
Zheng, Jianyang
;
Wang, Lulu
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/20
molecule generation
molecule optimization
drug discovery
deep learning
drug design
genetic algorithm
Discovery of a potent and selective covalent threonine tyrosine kinase (TTK) inhibitor
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2024, 卷号: 143, 页码: 16
作者:
Sun, Yaoliang
;
Chen, Zhiwen
;
Liu, Guobin
;
Chen, Xiaoai
;
Shi, Zihan
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/03/25
Inhibitor
Cancer
Threonine tyrosine kinase (TTK)
Covalent
Discovery and optimization of thieno[3,2-d]pyrimidine derivatives as highly selective inhibitors of cyclin-dependent kinase 7
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 263, 页码: 21
作者:
Zhang, Hongjin
;
Lin, Guohao
;
Jia, Suyun
;
Zhang, Ying
;
Wu, Jianbo
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/01/26
Thieno[3
d ]pyrimidine derivative
Cyclin-dependent kinase 7
Small molecule inhibitor
Kinome selectivity
Triple negative breast cancer
Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 15
作者:
Jiang, Xiangrui
;
Su, Haixia
;
Shang, Weijuan
;
Zhou, Feng
;
Zhang, Yan
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2024/03/25
Sequence-based drug design as a concept in computational drug design
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 21
作者:
Chen, Lifan
;
Fan, Zisheng
;
Chang, Jie
;
Yang, Ruirui
;
Hou, Hui
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/10/17
A comprehensive analysis of the Bencao (herbal) small RNA Atlas reveals novel RNA therapeutics for treating human diseases
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2023, 页码: 19
作者:
Cao, Yinghao
;
Lin, Yexuan
;
Sun, Na
;
Du, Xinyi
;
Dong, Yixin
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/10/17
small RNA
herbal decoction
cross-kingdom regulation
traditional Chinese medicine
RNA oligonucleotide drug
RNA therapeutics
Bencao small RNA Atlas
Optimization of carbazole carboxamide RORγt agonists: Challenges in improving the metabolic stability and maintaining the agonistic activity
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 251, 页码: 115213
作者:
Sun, Nannan
;
Yu, Mingcheng
;
Jiang, Zhengyuan
;
Yang, Feng
;
Lu, Lixue
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/03/27
ROR?t agonists
Carbazole carboxamide
Agonistic activity
Metabolic stability
Co-crystallization
Molecular docking
Design, Synthesis, and Evaluation of (R)-8-((Tetrahydrofuran-2-yl)methyl)pyrido[2,3-d]pyrimidin-7-ones as Novel Selective ACK1 Inhibitors to Combat Acquired Resistance to the Third-Generation EGFR Inhibitor
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 17
作者:
Li, Qian
;
Zhang, Tao
;
Song, Peiran
;
Tong, Linjiang
;
Feng, Fang
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2023/10/17
Structural Optimization of Fibroblast Growth Factor Receptor Inhibitors for Treating Solid Tumors
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 66, 期号: 5, 页码: 3226-3249
作者:
Li, Chunpu
;
Dai, Yang
;
Kong, Xiangtai
;
Wang, Bao
;
Peng, Xia
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/03/27
Experimental and kinetic study of high pressure pyrolysis of n dodecane
期刊论文
OAI收割
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2023, 卷号: 170, 页码: 105908
作者:
Li, Yikai
;
Zhang, Jiahe
;
Li YJ(李昱君)
;
Zhang DW(张大尉)
;
Cui NF(崔乃夫)
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/04/20
N dodecane
High pressure pyrolysis
Reaction kinetics
Mechanism optimization
RMG