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AlphaFold3 versus experimental structures: assessment of the accuracy in ligand-bound G protein-coupled receptors
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2024, 页码: 12
作者:
He, Xin-heng
;
Li, Jun-rui
;
Shen, Shi-yi
;
Xu, H. Eric
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2025/01/14
AlphaFold
structure-based drug design
artificial intelligence
GPCR
structural biology
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:12/0
  |  
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
How territorial function determines CO2 emissions in China: An approach of spatial dimension
期刊论文
OAI收割
JOURNAL OF GEOGRAPHICAL SCIENCES, 2024, 卷号: 34, 期号: 9, 页码: 1677-1696
作者:
Fan, Jie
;
Wang, Zheng
;
Zhou, Daojing
;
Guo, Rui
;
Chen, Dong
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2024/10/21
CO2 emission pattern
functional territory
spatial structure
function combination
spatial dimension-based analysis
How territorial function determines CO
2
emissions in China: An approach of spatial dimension
期刊论文
OAI收割
JOURNAL OF GEOGRAPHICAL SCIENCES, 2024, 卷号: 34, 期号: 9, 页码: 1677-1696
作者:
Fan, Jie
;
Wang, Zheng
;
Zhou, Daojing
;
Guo, Rui
;
Chen, Dong
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/11/28
CO2 emission pattern
functional territory
spatial structure
function combination
spatial dimension-based analysis
Structure-Based Optimization of One Neutralizing Antibody against SARS-CoV-2 Variants Bearing the L452R Mutation
期刊论文
OAI收割
VIRUSES-BASEL, 2024, 卷号: 16, 期号: 4, 页码: 9
作者:
Chen, Yamin
;
Zha, Jialu
;
Xu, Shiqi
;
Shao, Jiang
;
Liu, Xiaoshan
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2024/05/31
COVID-19
neutralizing antibody
structure-based antibody optimization
L452R mutation
Engineering Properties and Micropore Structure of Clay-Based Foamed Lightweight Soil
期刊论文
OAI收割
JOURNAL OF MATERIALS IN CIVIL ENGINEERING, 2024, 卷号: 36, 期号: 3, 页码: 14
作者:
Lu, Zheng
;
Zhao, Yang
;
Liu, Jie
;
Yuan XZ(苑旭泽)
;
Yao, Hailin
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2024/02/26
Clay-based foamed lightweight soil (CFLS)
Road widening
Physical and mechanical tests
Micropore structure tests
Dynamic properties
Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17
作者:
Lan, Yaohan
;
Peng, Xia
;
Ji, Yinchun
;
Su, Yi
;
Duan, Wenhu
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2024/02/27
AXL inhibitor
In vivo antitumor efficacy
6-Naphthyridin-4-one derivatives
Scaffold hopping
Structure-based drug design
Involving Distinguished Temporal Graph Convolutional Networks for Skeleton-Based Temporal Action Segmentation
期刊论文
OAI收割
IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS FOR VIDEO TECHNOLOGY, 2024, 卷号: 34, 期号: 1, 页码: 647-660
作者:
Li, Yun-Heng
;
Liu, Kai-Yuan
;
Liu, Sheng-Lan
;
Feng, Lin
;
Qiao, Hong
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2024/03/26
Feature extraction
Motion segmentation
Correlation
Convolution
Topology
Convolutional neural networks
Solid modeling
Skeleton-based temporal action segmentation
enhanced spatial graph structure
segmented encoding
Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933
作者:
Fang, Feifei
;
Dai, Yang
;
Wang, Hao
;
Ji, Yinchun
;
Liang, Xuewu
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/01/26
derivatives
Antitumor drug development
Potential AXL inhibitor
Antitumor activity
Structure-based drug design
Fused-pyrazolone carboxamide
Characterization of the pore structure in Chinese anthracite coal using FIB-SEM tomography and deep learning-based segmentation
期刊论文
OAI收割
ENERGY, 2023, 卷号: 282, 页码: 17
作者:
Zang, Jie
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/01/02
FIB-SEM tomography
Deep learning-based segmentation
Pore structure in coal
Connectivity
Primary CBM recovery