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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上海药物研究所 [29]
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期刊论文 [142]
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Synthesis and evaluation of hybrid molecules as RIPK1 and HDACs dual inhibitors
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1318, 页码: 13
作者:
Tang, Mingze
;
Zhou, Xuan
;
Shen, Qianqian
;
Fang, Chen
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/08/22
Receptor -interacting protein kinase 1
Histone deacetylases
Inhibitor
Molecular dynamics (MD) simulation
ADMET analysis
FuncPhos-STR: An integrated deep neural network for functional phosphosite prediction based on AlphaFold protein structure and dynamics
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 266, 页码: 11
作者:
Zhang, Guangyu
;
Zhang, Cai
;
Cai, Mingyue
;
Luo, Cheng
;
Zhu, Fei
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2024/06/27
Functional phosphosite
Deep learning
AlphaFold protein structure
Dynamics
Protein protein interaction
Exploring the mechanism of the PTP1B inhibitors by molecular dynamics and experimental study
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 125, 页码: 12
作者:
Zhao, Tian-Tian
;
Hu, Hao-Jie
;
Gao, Li-Xin
;
Zhou, Yu-Bo
;
Zhu, Yun-Long
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2023/10/17
Protein tyrosine phosphatases inhibitors
PTP1B inhibitors
Mechanism study
Molecular dynamics
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7
作者:
Wu, Leyun
;
Wang, Guangpu
;
Zhou, Liping
;
Mo, Mengxia
;
Shi, Yulong
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2023/04/10
Pharmaceutical sciences
Molecular dynamics simulation
Free energy calculation
Asthma
Target protein
Transgelin-2
Agonist
Molecular dynamics simulations of ovalbumin adsorption at squalene/ water interface
期刊论文
OAI收割
CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2022, 卷号: 50, 页码: 369-378
作者:
Xiong, Qingxia
;
Ren, Ying
;
Xia, Yufei
;
Ma, Guanghui
;
Noda, Reiji
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2023/02/24
Molecular dynamics simulation
Metadynamics
Protein adsorption
Structural stability
Ovalbumin
Rational Design by Structural Biology of Industrializable, Long-Acting Antihyperglycemic GLP-1 Receptor Agonists
期刊论文
OAI收割
PHARMACEUTICALS, 2022, 卷号: 15
作者:
Sun, Lei
;
Zheng, Zhi-Ming
;
Shao, Chang-Sheng
;
Zhang, Zhi-Yong
;
Li, Ming-Wei
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/12/22
glucagon-like peptide-1
GLP-1 receptor agonist
functional protein design
molecular dynamics simulation
long-acting antihyperglycemic
Label-Free Detection and Translocation Dynamics Study of Single-Molecule Herceptin Using Solid-State Nanopores
期刊论文
OAI收割
ADVANCED MATERIALS TECHNOLOGIES, 2022
作者:
Hu, Rui
;
Lu, Wenlong
;
Wei, Guanghao
;
Nan, Hexin
;
Li, Juan
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收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/12/23
solid-state nanopore
single-molecule detection
protein dynamics
monoclonal antibody
protein unfolding
Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2022, 卷号: 233, 期号: 0, 页码: 113323
作者:
Xue, Qiao
;
Liu, Xian
;
Russell, Paul
;
Li, Jin
;
Pan, Wenxiao
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/11/08
PROTEIN-LIGAND DOCKING
MOLECULAR DOCKING
DISCOVERY
FRAMEWORK
DYNAMICS
AFFINITY
Regulation of immune complex formation and signalling by FERONIA, a busy goddess in plant-microbe interactions
期刊论文
OAI收割
MOLECULAR PLANT PATHOLOGY, 2022, 卷号: 23, 期号: 11, 页码: 1695-1700
作者:
Duan, Zhikun
;
Liu, Wei
;
Li, Kaiwen
;
Duan, Wenwen
;
Zhu, Shengwei
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2024/03/07
endocytosis
FERONIA
immune responses
plant-microbe interaction
protein dynamics
Spatiotemporal dynamics of FERONIA reveal alternative endocytic pathways in response to flg22 elicitor stimuli
期刊论文
OAI收割
NEW PHYTOLOGIST, 2022, 卷号: 235, 期号: 2, 页码: 518-532
作者:
Xing, Jingjing
;
Ji, Dongchao
;
Duan, Zhikun
;
Chen, Tong
;
Luo, Xiaomin
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/03/07
Arabidopsis thaliana
endocytosis
FERONIA
protein dynamics
single particle tracking
trafficking