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
机构
上海药物研究所 [13]
地球化学研究所 [4]
遥感与数字地球研究所 [1]
采集方式
OAI收割 [18]
内容类型
期刊论文 [18]
发表日期
2021 [2]
2020 [4]
2019 [1]
2018 [3]
2016 [1]
2007 [2]
更多
学科主题
环境地球化学 [1]
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浏览/检索结果:
共18条,第1-10条
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Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 11
作者:
Fan, Shijie
;
Yue, Liyan
;
Wan, Wei
;
Zhang, Yuanyuan
;
Zhang, Bidong
  |  
收藏
  |  
浏览/下载:113/0
  |  
提交时间:2021/12/16
covalent modification
probes
proteome
LC3
post-translational modification
DrugSpaceX: a large screenable and synthetically tractable database extending drug space
期刊论文
OAI收割
NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: D1170-D1178
作者:
Yang, Tianbiao
;
Li, Zhaojun
;
Chen, Yingjia
;
Feng, Dan
;
Wang, Guangchao
  |  
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2021/05/24
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
;
Xiong, Zhaoping
;
Yang, Tianbiao
  |  
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
;
Xiong, Zhaoping
;
Yang, Tianbiao
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/12/21
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
期刊论文
OAI收割
BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414
作者:
Chen, Lifan
;
Tan, Xiaoqin
;
Wang, Dingyan
;
Zhong, Feisheng
;
Liu, Xiaohong
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2021/05/24
Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion
期刊论文
OAI收割
ADVANCED SCIENCE, 2020, 页码: 13
作者:
Sun, Zhongya
;
Zhang, Hao
;
Zhang, Yuanyuan
;
Liao, Liping
;
Zhou, Wen
  |  
收藏
  |  
浏览/下载:87/0
  |  
提交时间:2020/07/01
anti-metastasis activities
crystal structures
inhibitors
novel pockets
rho family proteins
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
期刊论文
OAI收割
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:
Li, Zhaojun
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
;
Xiong, Zhaoping
  |  
收藏
  |  
浏览/下载:241/0
  |  
提交时间:2020/07/01
Artificial intelligence in drug design
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
期刊论文
OAI收割
MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950
作者:
Zheng, Mingyue
;
Zhao, Jihui
;
Cui, Chen
;
Fu, Zunyun
;
Li, Xutong
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/01/08
ADMET
chemical biology
drug design
in silico
lead optimization
molecular dynamics
polypharmacology
virtual screening
artificialintelligenceindrugdesign
期刊论文
OAI收割
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T