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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长春光学精密机械与... [65]
上海药物研究所 [46]
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Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2026, 卷号: 27, 期号: 1, 页码: 15
作者:
Chen, Zhiyi
;
Hao, Yongxin
;
Su, Yuhong
;
Agren, Hans
;
Chen, Mingan
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2026/04/01
GPCR ligand efficacy
molecular dynamics
conformational ensembles
deep learning
structure-based drug design
transfer learning
Structure-Based Development of Ultra-Broad-Spectrum 3C-Like Protease Inhibitors
期刊论文
OAI收割
ADVANCED SCIENCE, 2025, 页码: 17
作者:
Su, Haixia
;
Nie, Tianqing
;
Chen, Guofeng
;
Xiong, Muya
;
Zhang, Yumin
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2026/01/29
3C-like protease
conservation analysis of the binding pocket
co-crystal structure
structure-based drug design
ultra-broad-spectrum inhibitors
Experimental Investigation of Shock-Wave-Streamwise-Vortex Interaction
期刊论文
OAI收割
AIAA JOURNAL, 2025, 卷号: 63, 期号: 8, 页码: 3079-3106
作者:
Wang, Ziao
;
Yao, Kai
;
Chang, Juntao
;
Yue LJ(岳连捷)
;
Chen, Hao
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2025/09/15
Shock Wave Interaction
Vortex Structure
Strong Oblique Shock Waves
Aerodynamics
Fluid Mechanics
Aircraft Wing Design
Supersonic Wind Tunnels
Aircraft Engines
Aircraft Components and Structure
Flow Conditions
An update for AlphaFold3 versus experimental structures: assessing the precision of small molecule binding in GPCRs
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 10
作者:
Shen, Shi-yi
;
Li, Jun-rui
;
Wang, Yu-song
;
Li, Shao-ning
;
Xu, H. Eric
  |  
收藏
  |  
浏览/下载:0/0
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提交时间:2025/09/09
GPCR
AlphaFold3
experimental structures
global receptor architecture
orthosteric binding pockets
allosteric modulator
structure-based drug design
Design method for coral gravel limestone rock-like materials and its mechanical performance
期刊论文
OAI收割
CONSTRUCTION AND BUILDING MATERIALS, 2025, 卷号: 477, 页码: 15
作者:
Wang, Qilin
;
Liu, Haifeng
;
Zhang, Yongtao
;
Chen, Peishuai
;
Gong, Jianwu
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2025/06/27
Coral reef limestone
Orthogonal design
CT scanning
Mix proportions
Pore structure characteristics
Stress-strain curve
Pore-throat network
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:52/0
  |  
提交时间:2025/01/14
AlphaFold
structure-based drug design
artificial intelligence
GPCR
structural biology
Experimental study on the effect of flexible joints of a deep-buried tunnel across an active fault under high in-situ stress conditions
期刊论文
OAI收割
UNDERGROUND SPACE, 2024, 卷号: 19, 页码: 189-207
作者:
Zhang, Jiawei
;
Cui, Zhen
;
Sheng, Qian
;
Zhao, Wanhua
;
Song, Liang
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2025/06/27
Tunnel project
Crossing active fault
High in-situ stress
Segmental structure design
Flexible joint
HSIS-SIF a high-performance hyperspectral imaging spectrometer for Solar-Induced Chlorophyll Fluorescence of vegetation
期刊论文
OAI收割
OPTICS AND LASERS IN ENGINEERING, 2024, 卷号: 180
作者:
Wang, Tao
;
Wu, Su
;
Zheng, Shanshan
;
Feng, Haisheng
;
Wen, Jian
  |  
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2024/11/20
SIF
Imaging spectrometer
Prism -grating structure
Optical design
Hyperspectral remote sensing
α" martensite engineering: A strategy to achieve high yield strength and low yield ratio synergy for dual-phase titanium alloy
期刊论文
OAI收割
MATERIALS & DESIGN, 2024, 卷号: 239, 页码: 15
作者:
Li, Diao-Feng
;
Bai, Chun-Guang
;
Zhang, Zhi-Qiang
;
Wang, Ran
;
Li, Nan
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2025/04/27
Titanium alloy
alpha 'martensite
Yield ratio
Stress -induced martensite transformation
Heterogeneous structure design
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:79/0
  |  
提交时间:2024/02/27
AXL inhibitor
In vivo antitumor efficacy
6-Naphthyridin-4-one derivatives
Scaffold hopping
Structure-based drug design