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 [231]
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期刊论文 [795]
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共836条,第1-10条
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Discovery of novel covalent stabilizers for p53 Y220C using structure-based drug discovery methods
期刊论文
OAI收割
MOLECULAR DIVERSITY, 2025, 页码: 14
作者:
Wen, Yiming
;
Xu, Peijia
;
Chen, Yijie
;
Meng, Jingyi
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2025/04/01
p53 Y220C
Covalent stabilizer
Virtual screening
Molecular dynamics
DNA binding
Structure-activity relationship
Cancer therapy
Deciphering the key drivers of oxidative potential during ammonium nitrate-mediated aqueous-phase photoreaction of methoxyphenols
期刊论文
OAI收割
ATMOSPHERIC ENVIRONMENT, 2025, 卷号: 340, 页码: 10
作者:
Lai, Racliffe Weng Seng
;
Qiu, Tian
;
Zhang, Xuyang
;
Wang, Yalin
;
Hao, Tianwei
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2025/04/01
Biomass burning
Methoxyphenol
Aqueous secondary organic aerosol
DTT consumption
Non-target screening analysis
Profiling metabolites and exploring metabolism of parabens in human urine using non-target screening and molecular networking
期刊论文
OAI收割
JOURNAL OF HAZARDOUS MATERIALS, 2024, 卷号: 480, 页码: 10
作者:
Yang, Tao
;
Li, Xinling
;
Tan, Jianhua
;
Liang, Wenyao
;
Kuang, Hongxuan
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2025/04/01
Parabens
Non-target screening
Molecular network
Metabolic pathway
Human urine
Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures
期刊论文
OAI收割
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208
作者:
Yang, Ziduo
;
Zhong, Weihe
;
Lv, Qiujie
;
Dong, Tiejun
;
Chen, Guanxing
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2025/01/14
Proteins
Programmable logic arrays
Three-dimensional displays
Predictive models
Graph neural networks
Data models
Convolution
Protein-ligand binding affinity
graph neural networks
inductive bias
drug-target interaction
structure-based virtual screening
Synchrotron Radiation: A Key Tool for Drug Discovery
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10
作者:
Li, Fengcheng
;
Liu, Runze
;
Li, Wenjun
;
Xie, Mingyuan
;
Qin, Song
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/12/06
Synchrotron radiation
Drug discovery
Protein crystals
Structure determination
Ligand screening
Synchrotron Radiation: A Key Tool for Drug Discovery
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10
作者:
Li, Fengcheng
;
Liu, Runze
;
Li, Wenjun
;
Xie, Mingyuan
;
Qin, Song
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/12/06
Synchrotron radiation
Drug discovery
Protein crystals
Structure determination
Ligand screening
Beyond plastic pollution: Unveiling chemical release from plastic debris in river water and seawater using non-target screening
期刊论文
OAI收割
WATER RESEARCH, 2024, 卷号: 267, 页码: 11
作者:
Peng, Xianzhi
;
Li, Xinling
;
Zhou, Jing
;
Tan, Jianhua
;
Chen, Guangshi
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2025/04/01
Plastic pollution
Chemical release
Leaching kinetics
Aquatic environment
Nontarget screening
DNA-Encoded Noncanonical Substrate Library for Protease Profiling
期刊论文
OAI收割
CHEMBIOCHEM, 2024, 页码: 12
作者:
Zhang, Huiya
;
Xing, Yuyu
;
Yang, Yixuan
;
Tang, Bixi
;
Zong, Zhaoyun
  |  
收藏
  |  
浏览/下载:73/0
  |  
提交时间:2024/12/16
Protease substrate
DNA-encoded library
Combinatorial peptide library
High-throughput screening
Covalent inhibitor
Noncanonical peptide
Wavelet-based selection-and-recalibration network for Parkinson's disease screening in OCT images
期刊论文
OAI收割
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE, 2024, 卷号: 256, 页码: 13
作者:
Huang, Jingqi
;
Zhang, Xiaoqing
;
Jin, Richu
;
Xu, Tao
;
Jin, Zi
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/12/06
Deep learning
Parkinson's disease screening
Discrete wavelet transform
An fNIRS representation and fNIRS-scales multimodal fusion method for auxiliary diagnosis of amnestic mild cognitive impairment
期刊论文
OAI收割
BIOMEDICAL SIGNAL PROCESSING AND CONTROL, 2024, 卷号: 96, 页码: 12
作者:
Cheng, Shiyu
;
Shang, Pan
;
Zhang, Yingwei
;
Guan, Jianhe
;
Chen, Yiqiang
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/12/06
Mild cognitive impairment
Auxiliary diagnosis
fNIRS
Scales
Multimodal fusion
Scales screening