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
中国科学院大学 [11]
武汉病毒研究所 [2]
计算机网络信息中心 [2]
寒区旱区环境与工程研... [1]
大连化学物理研究所 [1]
采集方式
iSwitch采集 [17]
内容类型
期刊论文 [17]
发表日期
2018 [3]
2016 [3]
2012 [1]
2010 [3]
2009 [1]
2008 [2]
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Deep annotation of hydroxycinnamic acid amides in plants based on ultra-high-performance liquid chromatography-high-resolution mass spectrometry and its in silico database
期刊论文
iSwitch采集
Analytical chemistry, 2018, 卷号: 90, 期号: 24, 页码: 14321-14330
作者:
Li, Zaifang
;
Zhao, Chunxia
;
Zhao, Xinjie
;
Xia, Yueyi
;
Sun, Xiaoshan
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2019/05/08
Quantum chemical simulations revealed the toxicokinetic mechanisms of organic phosphorus flame retardants catalyzed by P450 enzymes
期刊论文
iSwitch采集
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS, 2018, 卷号: 36, 期号: 4, 页码: 272-291
作者:
Fu, Zhiqiang
;
Chen, Jingwen
;
Wang, Yong
;
Hong, Huixiao
;
Xie, Hongbin
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/10/08
Phosphorus flame retardants
P450 enzymes
in silico
metabolic products
toxicokinetics
Matcloud: a high-throughput computational infrastructure for integrated management of materials simulation, data and resources
期刊论文
iSwitch采集
Computational materials science, 2018, 卷号: 146, 页码: 319-333
作者:
Yang, Xiaoyu
;
Wang, Zongguo
;
Zhao, Xushan
;
Song, Jianlong
;
Zhang, Mingming
收藏
  |  
浏览/下载:71/0
  |  
提交时间:2019/05/09
Materials data
High-throughput computational materials infrastructure
Materials informatics
Materials genome initiative
Identification of novel ezh2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
iSwitch采集
Bioorganic & medicinal chemistry letters, 2016, 卷号: 26, 期号: 15, 页码: 3813-3817
作者:
Wu, Yunlong
;
Hu, Junchi
;
Ding, Hong
;
Chen, Limin
;
Zhang, Yuanyuan
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/05/09
Ezh2
Epigenetics
Prc2
Computational drug design
Pharmacophore-based virtual screening
Methylation, glucuronidation, and sulfonation of daphnetin in human hepatic preparations in vitro: metabolic profiling, pathway comparison, and bioactivity analysis
期刊论文
iSwitch采集
Journal of pharmaceutical sciences, 2016, 卷号: 105, 期号: 2, 页码: 808-816
作者:
Liang, Si-Cheng
;
Xia, Yang-Liu
;
Hou, Jie
;
Ge, Guang-Bo
;
Zhang, Jiang-Wei
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/05/09
Daphnetin
Methylation
Glucuronidation
Sulfonation
8-o-methyldaphnetin
Anti-inflammatory activity
Pred-binding: large-scale protein-ligand binding affinity prediction
期刊论文
iSwitch采集
Journal of enzyme inhibition and medicinal chemistry, 2016, 卷号: 31, 期号: 6, 页码: 1443-1450
作者:
Shar, Piar Ali
;
Tao, Weiyang
;
Gao, Shuo
;
Huang, Chao
;
Li, Bohui
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2019/05/09
Binding affinity prediction
Drug target interaction
Random forest
Support vector machine
In silico identification of a multi-functional regulatory protein involved in holliday junction resolution in bacteria
期刊论文
iSwitch采集
Bmc systems biology, 2012, 卷号: 6, 页码: 10
作者:
Zhang, Yan
;
Lin, Jie
;
Gao, Yang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/05/09
Pre-clinical drug prioritization via prognosis-guided genetic interaction networks
期刊论文
iSwitch采集
Plos one, 2010, 卷号: 5, 期号: 11, 页码: 13
作者:
Xiong, Jianghui
;
Liu, Juan
;
Rayner, Simon
;
Tian, Ze
;
Li, Yinghui
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/05/09
Characterization of mnpc, a hydroquinone dioxygenase likely involved in the meta-nitrophenol degradation by cupriavidus necator jmp134
期刊论文
iSwitch采集
Current microbiology, 2010, 卷号: 61, 期号: 5, 页码: 471-476
作者:
Yin, Ying
;
Zhou, Ning-Yi
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/05/09
In silico characterization of the functional and structural modules of the hemagglutinin protein from the swine-origin influenza virus a (h1n1)-2009
期刊论文
iSwitch采集
Science china-life sciences, 2010, 卷号: 53, 期号: 6, 页码: 633-642
作者:
Sun YePing
;
Shi Yi
;
Zhang Wei
;
Li Qing
;
Liu Di
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/05/10
2009 s-oiv
Hemagglutinin
In silico
Structural and functional modules