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 [17]
大连化学物理研究所 [15]
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Identification of 3H-benzo[b] [1,4] diazepine derivatives as PPAR alpha agonists by in silico studies and biochemical evaluation
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 16
作者:
Li, Yue
;
Lv, Mengjia
;
Shen, Meiling
;
Gu, Xi
;
Zhang, Li
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/10/17
NAFLD
PPAR alpha agonist
virtual screening
biochemical evaluation
Predicting the antigenic evolution of SARS-COV-2 with deep learning
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 14
作者:
Han, Wenkai
;
Chen, Ningning
;
Xu, Xinzhou
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/12/04
High-throughput prediction and characterization of antimicrobial peptides from multi-omics datasets of Chinese tubular cone snail (Conus betulinus)
期刊论文
OAI收割
FRONTIERS IN MARINE SCIENCE, 2022, 卷号: 9, 页码: 13
作者:
Li, Ruihan
;
Huang, Yu
;
Peng, Chao
;
Gao, Zijian
;
Liu, Jie
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/12/13
Conus betulinus
antimicrobial peptide
multi-omics
in silico prediction
in vitro assessment
Stronger wind, smaller tree: Testing tree growth plasticity through a modeling approach
期刊论文
OAI收割
FRONTIERS IN PLANT SCIENCE, 2022, 卷号: 13, 页码: 17
作者:
Wang, Haoyu
;
Hua, Jing
;
Kang, Mengzhen
;
Wang, Xiujuan
;
Fan, Xing-Rong
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2023/01/09
functional-structural plant model
mechanical model
critical wind speed
tree breakage
optimization
thigmomorphogenesis
Structure-based rational design enables efficient discovery of a new selective and potent AKT PROTAC degrader
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 238, 页码: 15
作者:
Zhu, Cheng-Liang
;
Luo, Xiaomin
;
Tian, Tian
;
Rao, Zijian
;
Wang, Hanlin
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/08/16
AKT
Protein kinase B
PROTAC
Chemical degrader
Rational design
Critical target identification and human health risk ranking of metal ions based on mechanism-driven modeling
期刊论文
OAI收割
CHEMOSPHERE, 2022, 卷号: 301, 页码: 9
作者:
Wang, Xiaoqing
;
Teng, Yuefa
;
Ji, Chenglong
;
Wu, Huifeng
;
Li, Fei
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/07/26
Metal ions
p53
QSAR
Genetic toxicity
Human health risk
Intervening on psychopathology networks: Evaluating intervention targets through simulations
期刊论文
OAI收割
METHODS, 2022, 卷号: 204, 页码: 29-37
作者:
Lunansky, Gabriela
;
Naberman, Jasper
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2022/07/18
Psychopathology
Network analysis
Dynamic systems
Simulation study
Interventions
Prediction of the Liquid-Liquid Extraction Properties of Imidazolium-Based Ionic Liquids for the Extraction of Aromatics from Aliphatics
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 7, 页码: 3376-3385
作者:
Yu, Tianhao
;
Olsson, Emilia
;
Lian, Guoping
;
Liu, Lei
;
Huo, Feng
  |  
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2021/08/31
Polarizability and aromaticity index govern AhR-mediated potencies of PAHs: A QSAR with consideration of freely dissolved concentrations
期刊论文
OAI收割
CHEMOSPHERE, 2021, 卷号: 268, 页码: -
作者:
Wang, Ying
;
Yang, Xianhai
;
Zhang, Songyan
;
Guo, Tai L.
;
Zhao, Bin
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/12/22
PAHs
Freely dissolved concentration
Aryl hydrocarbon receptor
QSAR
Polarizability
HOMA
Evaluation of the Estrogenic/Antiestrogenic Activities of Perfluoroalkyl Substances and Their Interactions with the Human Estrogen Receptor by Combining In Vitro Assays and In Silico Modeling
期刊论文
OAI收割
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2020, 卷号: 54, 期号: 22, 页码: 14514-14524
作者:
Li, Juan
;
Cao, Huiming
;
Feng, Hongru
;
Xue, Qiao
;
Zhang, Aiqian
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/09/14