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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金属研究所 [39]
长春应用化学研究所 [23]
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期刊论文 [209]
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Interface exploring in fiber-reinforced composite coatings: Enhancing corrosion resistance, mechanical stability, and real-time monitoring
期刊论文
OAI收割
PROGRESS IN ORGANIC COATINGS, 2026, 卷号: 212, 页码: 17
作者:
Yuan, Shuai
;
Zhao, Xia
;
Jin, Zuquan
;
Wang, Pan
;
Guo, Haoran
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2026/06/02
Fiber reinforced composites
Interfacial bonding
Anticorrosion coatings
Electromagnetic monitoring method
Molecular dynamics simulations
From Multi-Species Screening to Targeted Investigation: Discovery of ACE Inhibitory Peptides in
Gigantidas platifrons
via Peptidomics, Virtual Screening, and Molecular Dynamics Simulations
期刊论文
OAI收割
MOLECULES, 2026, 卷号: 31, 期号: 5, 页码: 18
作者:
Zhang, Haorui
;
Ouyang, Yuhong
;
Suo, Qishan
;
Chen, Hao
;
Cui, Jie
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2026/06/02
ACE inhibitory peptides
deep-sea mollusks
Gigantidas platifrons
molecular dynamics simulations
Optimizing computational prediction of shrimp-WSSV protein interactions through integration of homology- and topology-based predictions
期刊论文
OAI收割
MOLECULAR GENETICS AND GENOMICS, 2026, 卷号: 301, 期号: 1, 页码: 10
作者:
Yang, Zhanyuan
;
Yuan, Jianbo
;
Li, Shihao
;
Zhang, Xiaojun
;
Li, Fuhua
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2026/06/02
Protein-protein interactions
Penaeid shrimp
STRING interaction
AlphaFold3 modeling
Molecular dynamics simulations
Structure-based design of novel THR-β agonists and mechanism of activation research by molecular dynamics simulations
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2025, 卷号: 131, 页码: 15
作者:
Gao, Yang
;
Zhu, Haoran
;
Gao, Li-Xin
;
Xu, Gao-Ya
;
Lin, Jing
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2025/12/04
Thyroid hormone receptor beta (THR-beta)
Agonists
Metabolic-associated steatohepatitis (MASH)
Molecular dynamics simulations
3CL
pro
of SARS-CoV-2 as a new target for bufadienolides: in silico and in vitro study
期刊论文
OAI收割
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2025, 卷号: 39, 期号: 1, 页码: 15
作者:
Kayumov, Muzaffar
;
Razzokov, Jamoliddin
;
Makhkamov, Mukhriddin
;
Radjabov, Murodjon
;
Mukhamedov, Nurkhodja
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/09/09
Bufadienolides
3CL(pro)
Computer simulations
Molecular dynamics
Umbrella sampling
In vitro analysis
Network Pharmacology and Molecular Dynamics Simulations Reveal the Mechanism of Total Alkaloid Components in Anisodus Tanguticus (Maxim.) Pascher in Treating Inflammation and Pain
期刊论文
OAI收割
CHEMISTRY & BIODIVERSITY, 2025, 卷号: 22, 期号: 1
作者:
Tan, Nixia
;
Wang, Yue
;
Ren, Lichengcheng
;
Tie, Fangfang
;
Hu, Na
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2025/11/27
Anisodus tanguticus (Maxim.) Pascher
Network pharmacology
Molecular dynamics simulations
Anti-inflammatory and analgesic effects
Mechanism of action
Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses
期刊论文
OAI收割
ACTA MATERIALIA, 2024, 卷号: 275, 页码: 7
作者:
Sopu, D.
;
Yuan, X.
;
Spieckermann, F.
;
Eckert, J.
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/04/27
Metallic glasses
Molecular dynamics simulations
Dynamics relaxation
Recognizing the function of different silane coupling agents on MXene adsorption/barrier behavior in solvent-borne epoxy coatings: Experimental studies, density functional theory, and molecular dynamics simulations
期刊论文
OAI收割
PROGRESS IN ORGANIC COATINGS, 2024, 卷号: 192, 页码: 15
作者:
Pourhashem, Sepideh
;
Hadizadeh, Mohammad Hassan
;
Ji, Xiaohong
;
Zhou, Ziyang
;
Duan, Jizhou
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2024/08/29
Amino-silane functionalized MXene
Nano-SiO2 decorated MXene
Corrosion resistance
Epoxy coating
Density functional theory/molecular dynamics
simulations
Deep-learning potential molecular dynamics simulations of the structural and physical properties of rare-earth metal scandium
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 242, 页码: 8
作者:
Xue, Hong-Tao
;
Li, Juan
;
Chang, Zhen
;
Yang, Yan-Hong
;
Tang, Fu-Ling
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2025/04/27
Deep potential
Molecular dynamics simulations
First-principles calculations
Rare-earth metal Sc
Phase transformation
Elastic network models and molecular dynamic simulations reveal the molecular basis of allosteric regulation in ubiquitin-specific protease 7 (USP7)
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 162, 页码: 10
作者:
Xu, Jing
;
Wang, Yiran
;
Zhang, Jiali
;
Abdelmoneim, Amr Abbas
;
Liang, Zhongjie
  |  
收藏
  |  
浏览/下载:80/0
  |  
提交时间:2023/10/17
USP7
Allosteric regulation
Elastic network models
Molecular dynamics simulations