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
机构
长春应用化学研究所 [31]
上海药物研究所 [26]
化学研究所 [19]
宁波材料技术与工程... [12]
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OAI收割 [133]
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期刊论文 [122]
会议论文 [6]
学位论文 [3]
SCI/SSCI论文 [2]
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2022 [3]
2021 [6]
2020 [7]
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Chemistry [12]
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Enhanced molecular stability of ApxII antigen during secretion in Corynebacterium glutamicum by rational design
期刊论文
OAI收割
JOURNAL OF BIOTECHNOLOGY, 2024, 卷号: 394
作者:
Liu, Xiuxia
;
Yang, Shujie
;
Sun, Manman
;
Gao, Alex Xiong
;
Fan, Ziming
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/11/20
Truncated ApxII
Molecular stability towards proteolytic
degradation
Corynebacterium glutamicum
Rational design
The emergence of machine learning force fields in drug design
期刊论文
OAI收割
MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36
作者:
Chen, Mingan
;
Jiang, Xinyu
;
Zhang, Lehan
;
Chen, Xiaoxu
;
Wen, Yiming
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2024/02/19
computational chemistry
drug design
force field
machine learning
molecular modeling
Molecular Design of Competitive Solvation Electrolytes for Practical High-Energy and Long-Cycling Lithium-Metal Batteries
期刊论文
OAI收割
ADVANCED FUNCTIONAL MATERIALS, 2023, 页码: 11
作者:
Zhang, Guangzhao
;
Li, Jiawei
;
Chi, Shang-Sen
;
Wang, Jun
;
Wang, Qingrong
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2024/04/07
bipolar molecule
competitive solvation electrolyte
high voltage
lithium metal batteries
molecular design
Cyano Substituent on the Olefin Linkage: Promoting Rather than Inhibiting the Performance of Covalent Organic Frameworks
期刊论文
OAI收割
ACS CATALYSIS, 2022, 卷号: 12, 期号: 17, 页码: 10718-10726
作者:
Yang, Yongliang
;
Luo, Na
;
Lin, Shiyun
;
Yao, Huan
;
Cai, Yaqi
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/11/08
MOLECULAR DESIGN
CRYSTALLINE
PHOTOCATALYST
EMISSION
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:24/0
  |  
提交时间:2022/12/22
glucagon-like peptide-1
GLP-1 receptor agonist
functional protein design
molecular dynamics simulation
long-acting antihyperglycemic
Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives
期刊论文
OAI收割
ADVANCED ENERGY MATERIALS, 2022, 页码: 29
作者:
Olsson, Emilia
;
Yu, Jiale
;
Zhang, Haiyan
;
Cheng, Hui-Ming
;
Cai, Qiong
  |  
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2022/07/14
anodes
density functional theory
lithium-ion batteries
materials design
molecular dynamics
potassium-ion batteries
sodium-ion batteries
The One-pot Encapsulation of Palladium Complexes into Covalent Organic Frameworks Enables the Alkoxycarbonylation of Olefins
期刊论文
OAI收割
CHEMCATCHEM, 2021, 页码: 12
作者:
Yang, Xin
;
Du, Yi-Ran
;
Guan, Peng-Xin
;
Liu, Hong-Ying
;
Wang, Yao-Feng
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2022/06/15
alkoxycarbonylation of olefins
catalyst design
covalent organic frameworks
encapsulation of molecular complex
heterogeneous catalysis
Rational drug design of benzothiazole-based derivatives as potent signal transducer and activator of transcription 3 (STAT3) signaling pathway inhibitors
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 216, 页码: 20
作者:
Gao, Dingding
;
Jin, Nan
;
Fu, Yixian
;
Zhu, Yueyue
;
Wang, Yujie
  |  
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/06/11
STAT3 signaling pathway
Benzothiazole
Rational design
Antitumor activity
Molecular docking
Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963
作者:
Liu,Jiangxin
;
Wu,Xing-De
;
Li,Wenyan
;
Yuan,Zaifeng
;
Yang,Kun
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/04/02
Pseudolaric acid A
Hsp90 inhibitor
Apoptosis
NMR
Structure-activity relationship
Photoaffinity-based probe
Protein-ligand interaction
MOLECULAR CHAPERONE
PROTEIN
TARGET
CANCER
KINASE
NMR
IDENTIFICATION
SELECTIVITY
BINDING
DESIGN
Double-Layer Nitrogen-Rich Two-Dimensional Anionic Uranyl-Organic Framework for Cation Dye Capture and Catalytic Fixation of Carbon Dioxide
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2021, 卷号: 60, 期号: 15, 页码: 11485-11495
作者:
Kong, Xiang-He
;
Hu, Kong-Qiu
;
Mei, Lei
;
Li, Ailin
;
Liu, Kang
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2021/12/01
COORDINATION POLYMERS
MOLECULAR-ENERGIES
NANOSHEETS
CHEMISTRY
DESIGN
COMPOSITES
ACTINIDES
MOFS