中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [25]
长春应用化学研究所 [17]
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期刊论文 [101]
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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
Development and Validation of an ADA-Tolerant Assay for Quantification of an Exatecan-Based ADC in Monkey Plasma
期刊论文
OAI收割
MOLECULES, 2024, 卷号: 29, 期号: 3, 页码: 14
作者:
Tao, Yimin
;
Lu, Wei
;
Gao, Jinli
;
Yang, Shuangshuang
;
Ruan, Chaoyi
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收藏
  |  
浏览/下载:38/0
  |  
提交时间:2024/03/13
antibody-drug conjugate (ADC)
bioanalysis
anti-drug antibody (ADA)
ligand binding assay (LBA)
ADA-tolerant assay
Structural insights into the interaction of three Y- shaped ligands with PI3Kα
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2023, 卷号: 120, 期号: 34, 页码: 9
作者:
Zhou, Qingtong
;
Liu, Xiao
;
Neri, Dario
;
Li, Wenxin
;
Favalli, Nicholas
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2023/12/08
phosphoinositide 3-kinase
drug target
ligand
binding pocket
chemical scaffold
Receptor-Ligand Binding: Effect of Mechanical Factors
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 卷号: 24, 期号: 10, 页码: 9062
作者:
Du, Ruotian
;
Li L(李龙)
;
Ji, Jing
;
Fan, Yubo
;
Li L(李龙)
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/06/15
receptor-ligand binding
tension
shear stress
stretch
compression
substrate stiffness
biomechanics
mechanotransduction
Two dimensional measurements of receptor ligand interactions
期刊论文
OAI收割
FRONTIERS IN MOLECULAR BIOSCIENCES, 2023, 卷号: 10, 页码: 1154074
作者:
Zheng SJ(郑松杰)
;
Zou M(邹敏)
;
Shao YF(邵颖峰)
;
Wu, Huaping
;
Wu, Helong
  |  
收藏
  |  
浏览/下载:10/0
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提交时间:2023/04/20
receptor ligand interaction
binding kinetics
kinetic on rate
kinetic off rate
binding affinity
two dimensional measuring methods
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)
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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
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
Insights into intercellular receptor-ligand binding kinetics in cell communication
期刊论文
OAI收割
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY, 2022, 卷号: 10, 页码: 953353
作者:
An, Chenyi
;
Wang, Xiaohuan
;
Song F(宋凡)
;
Hu, Jinglei
;
Li L(李龙)
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2022/10/23
cell communication
intercellular receptor-ligand binding kinetics
protein-membrane interaction
biomechanical force
bioelectric microenvironment
Development and validation of a ligand-binding assay for quantification of the F(ab')(2) antivenom of Daboia russelii siamensis in human serum and its application to a phase I clinical study
期刊论文
OAI收割
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2022, 卷号: 212, 页码: 8
作者:
Gui, Yuzhou
;
Yu, Chengyin
;
Zhou, Jiaye
;
Xin, Liang
;
Chen, Ze
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2022/06/15
F(ab')(2) antivenom
Daboia russelii siamensis
Ligand-binding assay
Method validation
Clinical trial
CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction
期刊论文
OAI收割
BIOMOLECULES, 2021, 卷号: 11, 期号: 5, 页码: 9
作者:
Wang, Xun
;
Liu, Dayan
;
Zhu, Jinfu
;
Rodriguez-Paton, Alfonso
;
Song, Tao
  |  
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2021/12/01
protein-ligand binding affinity
2-D structural CNN
spatial attention mechanism