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 [73]
长春应用化学研究所 [51]
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期刊论文 [406]
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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
GPCR-BSD: a database of binding sites of human G-protein coupled receptors under diverse states
期刊论文
OAI收割
BMC BIOINFORMATICS, 2024, 卷号: 25, 期号: 1, 页码: 16
作者:
Liu, Fan
;
Zhou, Han
;
Li, Xiaonong
;
Zhou, Liangliang
;
Yu, Chungong
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/12/06
G-protein coupled receptor
State-specific structure
Binding site
Key residue
Database
IL-18 signaling is regulated by caspase 6/8 and IL-18BP in turbot (Scophthalmus maximus)
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 278, 页码: 13
作者:
Yu, Chao
;
Xu, Hang
;
Jiang, Shuai
;
Sun, Li
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/12/20
Teleost
Interleukin 18
Caspase
Interleukin 18 receptor
Interleukin 18 binding protein
Immune defense
Rational design and discovery of novel oxalate-like derivatives as aphid-repellent candidates based on odorant-binding protein 3
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1301, 页码: 11
作者:
Zhu, Ziwei
;
Li, Jianing
;
Liu, Chong
;
Li, Huilin
;
Lu, Xingxing
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2024/04/09
Odorant-binding protein
Oxalate-like derivatives
Rational design
Repellent activity
Behavioural control agents
Insights into the fatty acid binding protein of Pacific white shrimp (Litopenaeus vannamei) suffering acute hepatopancreatic necrosis disease infection
期刊论文
OAI收割
AQUACULTURE, 2023, 卷号: 574, 页码: 12
作者:
Gu, Xiaoqian
;
Wang, Baojie
;
Jiang, Keyong
;
Liu, Mei
;
Wang, Lei
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/12/07
Fatty acid binding protein
AHPND
Immunofluorescence localization
Blocking assay
Neutralization assay
Transcriptome analysis
Intercellular Receptor-ligand Binding: Effect of Protein-membrane Interaction
期刊论文
OAI收割
JOURNAL OF MOLECULAR BIOLOGY, 2023, 卷号: 435, 期号: 1, 页码: 17
作者:
Li, Long
;
Ji, Jing
;
Song, Fan
;
Hu, Jinglei
;
Song F(宋凡)
  |  
收藏
  |  
浏览/下载:56/0
  |  
提交时间:2023/03/08
Protein-membrane interaction
Intercellular receptor-ligand binding
Membrane fluctuations and curvature
Glycocalyx
Lipid raft
Nonequilibrium spherulitic magnetite in the Ryugu samples
期刊论文
OAI收割
GEOCHIMICA ET COSMOCHIMICA ACTA, 2023, 卷号: 346, 页码: 65-75
作者:
Dobrica, Elena
;
Ishii, Hope A.
;
Bradley, John P.
;
Ohtaki, Kenta
;
Brearley, Adrian J.
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2024/09/26
MESSENGER-RNA LOCALIZATION
AQUEOUS ALTERATION
PROTEIN-SYNTHESIS
LOCAL TRANSLATION
BINDING-PROTEINS
TAGISH LAKE
GROWTH
MINERALOGY
CHONDRITE
CI
Insights into the mechanisms involved in the fungal degradation of plastics
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2023, 卷号: 262, 页码: 115202
作者:
Okal,Eyalira Jacob
;
Heng,Gui
;
Magige,Ephie A.
;
Khan,Sehroon
;
Wu,Shixi
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/07/22
Plastic biodegradation
Pre-treatment
Enzyme hydrolysis
Prooxidants
Molecular mechanisms
SURFACE BINDING-PROTEIN
WHITE-ROT FUNGI
MICROBIAL-DEGRADATION
MANGANESE PEROXIDASE
LIGNIN PEROXIDASE
GENE-EXPRESSION
POLYETHYLENE TEREPHTHALATE
TRANSCRIPTIONAL REGULATION
BIOLOGICAL DEGRADATION
ENZYMATIC DEGRADATION
The phenolic profile of walnut meal protein isolate and interaction of phenolics with walnut protein
期刊论文
OAI收割
FOOD RESEARCH INTERNATIONAL, 2023, 卷号: 170, 页码: 113042
作者:
Wang,Yuxi
;
Tan,Bing
;
Chen,Chi
;
Zhang,Xudong
;
Sun,Xiangjun
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2024/07/30
Walnut meal
Protein isolate
Phenolic compounds
Interaction mechanisms
Protein functional properties
AMINO-ACID-COMPOSITION
FUNCTIONAL-PROPERTIES
MOLECULAR DOCKING
ANTIOXIDANT ACTIVITY
BINDING INTERACTION
QUANTUM-MECHANICS
BETA-CASEIN
BIOACCESSIBILITY
HYDROLYSIS
PEPTIDES
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:26/0
  |  
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