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上海药物研究所 [5]
过程工程研究所 [4]
北京大学 [3]
新疆理化技术研究所 [3]
昆明植物研究所 [2]
大连理工大学 [1]
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期刊论文 [17]
会议论文 [1]
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学位论文 [1]
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2018 [2]
2017 [2]
2016 [2]
2015 [1]
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Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Pharmacophore-based drug design for the identification of novel butyrylcholinesterase inhibitors against Alzheimer's disease
期刊论文
PHYTOMEDICINE, 2019, 卷号: 54, 期号: 2, 页码: 278-290
作者:
Jiang, YY (Jiang, Yingying)[ 2 ]
;
Gao, HW (Gao, Hongwei)[ 1,2 ]
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  |  
浏览/下载:46/0
  |  
提交时间:2019/03/19
Alzheimer's disease (AD)
Butyrylcholinesterase (BChE)
Flavonoids
Pharmacophore models
Molecular docking
De novo evolution
Pharmacophore-based drug design for potential AChE inhibitors from Traditional Chinese Medicine Database
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 76, 期号: 2, 页码: 400-414
作者:
Jiang, YY (Jiang, Yingying)
;
Gao, HW (Gao, Hongwei)
;
Gao, HW
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  |  
浏览/下载:32/0
  |  
提交时间:2018/03/14
Ad
Ache
Flavonoids
Tcm
Pharmacophore Models
Docking
Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database
期刊论文
PHYTOMEDICINE, 2018, 卷号: 38, 期号: 1, 页码: 145-157
作者:
Gao, HW (Gao, Hongwei)
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  |  
浏览/下载:29/0
  |  
提交时间:2018/03/05
Tyrosinase
Inhibitors
Tcm
Pharmacophore Models
Docking
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2017/12/11
B-raf Kinase Inhibitors
Virtual Screening
Pharmacophore
Molecular Docking
3d Qsar
Binding Free Energy Calculation
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/04
B-Raf kinase inhibitors
Virtual screening
Pharmacophore
Molecular docking
3D QSAR
Binding free energy calculation
Identification of novel ezh2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
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
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  |  
浏览/下载:38/0
  |  
提交时间:2019/05/09
Ezh2
Epigenetics
Prc2
Computational drug design
Pharmacophore-based virtual screening
Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
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:32/0
  |  
提交时间:2019/01/08
EZH2
Epigenetics
PRC2
Computational drug design
Pharmacophore-based virtual screening
Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2015, 卷号: 16, 期号: 6, 页码: 13407-13426
作者:
Zhou, Nannan
;
Xu, Yuan
;
Liu, Xian
;
Wang, Yulan
;
Peng, Jianlong
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 12, 页码: 3202-3211
作者:
Xu, Lili
;
Zhou, Shanglin
;
Yu, Kunqian
;
Gao, Bo
;
Jiang, Hualiang
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/01/08
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