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生态环境研究中心 [4]
上海药物研究所 [2]
大连化学物理研究所 [2]
烟台海岸带研究所 [2]
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大连理工大学 [1]
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期刊论文 [13]
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Toxicology [1]
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High-throughput prediction and characterization of antimicrobial peptides from multi-omics datasets of Chinese tubular cone snail (Conus betulinus)
期刊论文
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:9/0
  |  
提交时间:2023/12/13
Conus betulinus
antimicrobial peptide
multi-omics
in silico prediction
in vitro assessment
Critical target identification and human health risk ranking of metal ions based on mechanism-driven modeling
期刊论文
CHEMOSPHERE, 2022, 卷号: 301, 页码: 9
作者:
Wang, Xiaoqing
;
Teng, Yuefa
;
Ji, Chenglong
;
Wu, Huifeng
;
Li, Fei
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  |  
浏览/下载:52/0
  |  
提交时间:2022/07/26
Metal ions
p53
QSAR
Genetic toxicity
Human health risk
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
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
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  |  
浏览/下载:30/0
  |  
提交时间:2021/09/14
In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 3265-3276
作者:
Zhao, Wenfeng
;
Xiong, Muya
;
Yuan, Xiaojing
;
Li, Minjun
;
Sun, Hongbin
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  |  
浏览/下载:20/0
  |  
提交时间:2020/12/24
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2020, 卷号: 12, 期号: 9, 页码: 763-774
作者:
Cao, Yucheng
;
Ni, Jingxuan
;
Ji, Wentao
;
Shang, Kangle
;
Liang, Kaicheng
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  |  
浏览/下载:14/0
  |  
提交时间:2020/12/24
antifungal activity
fusidic acid
homology modeling
molecular docking
molecular dynamics simulations
Short-chain chlorinated paraffins (SCCPs) disrupt hepatic fatty acid metabolism in liver of male rat via interacting with peroxisome proliferator-activated receptor a (PPAR alpha)
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 181, 页码: 164-171
作者:
Gong, Yufeng
;
Zhang, Haijun
;
Geng, Ningbo
;
Ren, Xiaoqian
;
Giesy, John P.
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  |  
浏览/下载:102/0
  |  
提交时间:2019/12/02
SCCPs
Mode of action
PPAR alpha
Luciferase assay
Molecular docking
Metabolomics
Competitive Inhibition Mechanism of Acetylcholinesterase without Catalytic Active Site Interaction: Study on Functionalized C-60 Nanoparticles via in Vitro and in Silico Assays
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 22, 页码: 18626-18638
作者:
Liu, Yanyan
;
Yan, Bing
;
Winkler, David A.
;
Fu, Jianjie
;
Zhang, Aigian
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  |  
浏览/下载:20/0
  |  
提交时间:2018/07/26
C-60 Nanoparticle
Acetylcholinesterase
Competitive Inhibition
Peripheral Anionic Site
Quantitative Nanostructure-activity Relationship
Molecular Docking
Site-directed Mutation
Hemodynamic Benefits of Counterpulsation, Implantable, Percutaneous, and Intraaortic Rotary Blood Pumps: An In-Silico and In Vitro Study
期刊论文
CARDIOVASCULAR ENGINEERING AND TECHNOLOGY, 2017, 卷号: 8, 页码: 439-452
作者:
Wang, Yu
;
Koenig, Steven C.
;
Sobieski, Michael A.
;
Slaughter, Mark S.
;
Giridharan, Guruprasad A.
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/03
Heart failure
Mechanical circulatory support devices
Cardiac and vascular hemodynamic responses
In-silico and in vitro modeling
The discovery of new acetylcholinesterase inhibitors derived from pharmacophore modeling, virtual screening, docking simulation and bioassays
期刊论文
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 12, 页码: 3734-3742
作者:
Zhang, Yunqin
;
Zhang, Shuqun
;
Xu, Guowei
;
Yan, Hui
;
Pua, Yinglan
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  |  
浏览/下载:30/0
  |  
提交时间:2017/02/14
Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study
期刊论文
TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541
作者:
Li, Fei
;
Cao, Lulu
;
Li, Xuehua
;
Li, Na
;
Wang, Zijian
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/03/11
Organophosphate flame retardants (OPFRs)
p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Partial least squares (PLS)
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