中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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Application of ensemble learning for predicting GABA
A
receptor agonists
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13
作者:
Xiao, Fu
;
Ding, Xiaoyu
;
Shi, Yan
;
Wang, Dingyan
;
Wang, Yitian
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/03/25
GABA(A )receptor
Benzodiazepine
Agonist
Machine learning
Classification
ABPP-CoDEL: Activity-Based Proteome Profiling-Guided Discovery of Tyrosine-Targeting Covalent Inhibitors from DNA-Encoded Libraries
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2023, 卷号: 145, 期号: 46, 页码: 25283-25292
作者:
Jiang, Lulu
;
Liu, Sixiu
;
Jia, Xinglong
;
Gong, Qinting
;
Wen, Xin
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/01/16
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yitian
;
Xiong, Jiacheng
;
Xiao, Fu
;
Zhang, Wei
;
Cheng, Kaiyang
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/10/17
logD7.4
Lipid solubility
Graph neural network
Molecular property prediction
Development of HSP90 inhibitors-SN38 conjugates for cancer treatment
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2023, 卷号: 137, 页码: 11
作者:
Cao, Yuting
;
Shen, Qianqian
;
Ding, Mengyuan
;
Chen, Yi
;
Lu, Wei
  |  
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2023/10/17
HSP90
SN38 conjugate
Drug accumulation
Cancer treatment
Conserved class B GPCR activation by a biased intracellular agonist
期刊论文
OAI收割
NATURE, 2023, 页码: 25
作者:
Zhao, Li-Hua
;
He, Qian
;
Yuan, Qingning
;
Gu, Yimin
;
He, Xinheng
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/10/17
Gambogenic acid inhibits proliferation and ferroptosis by targeting the miR-1291/FOXA2 and AMPK & alpha;/SLC7A11/GPX4 axis in colorectal cancer
期刊论文
OAI收割
CELL BIOLOGY INTERNATIONAL, 2023, 页码: 12
作者:
Ma, Xiaoqi
;
Xu, Midie
;
Zhang, Xing
;
Wang, Xin
;
Su, Kexin
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/10/17
endoplasmic reticulum stress
intracellular ferrous iron
miRNA
Spatiotemporal and global profiling of DNA-protein interactions enables discovery of low-affinity transcription factors
期刊论文
OAI收割
NATURE CHEMISTRY, 2023, 页码: 18
作者:
Guo, An-Di
;
Yan, Ke-Nian
;
Hu, Hao
;
Zhai, Linhui
;
Hu, Teng-Fei
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/10/17
Conjugation site characterization of antibody-drug conjugates using electron-transfer/higher-energy collision dissociation (EThcD)
期刊论文
OAI收割
ANALYTICA CHIMICA ACTA, 2023, 卷号: 1251, 页码: 7
作者:
Song, Yuanli
;
Gao, Jing
;
Meng, Qian
;
Tang, Feng
;
Wang, Yuqiu
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/10/17
Antibody -drug conjugates
EThcD
Conjugation site
Peptide mapping
Quality control
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7
作者:
Wu, Leyun
;
Wang, Guangpu
;
Zhou, Liping
;
Mo, Mengxia
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/04/10
Pharmaceutical sciences
Molecular dynamics simulation
Free energy calculation
Asthma
Target protein
Transgelin-2
Agonist
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