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上海药物研究所 [4]
山东大学 [4]
中国医学科学院 北京... [3]
大连理工大学 [2]
大连化学物理研究所 [2]
昆明植物研究所 [2]
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期刊论文 [23]
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Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds
期刊论文
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2020, 卷号: 10, 页码: 12
作者:
Liu, Congshan
;
Yin, Jianhai
;
Yao, Jiaqing
;
Xu, Zhijian
;
Tao, Yi
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2020/07/01
echinococcosis
Echinococcus multilocularis
pharmacophore modeling
virtual screenings
in vitro drug screen
cytotoxicity
E
multilocularis-infected mice
pharmacokinetics analysis
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
Structure‐based pharmacophore models to probe anticancer activity of inhibitors of protein kinase B‐beta (PKB β).
期刊论文
Chemical Biology & Drug Design, 2019, 卷号: Vol.93 No.3, 页码: 325-336
作者:
Akhtar, N.a
;
Jabeen, I.a
;
Jalal, N.b
;
Antilla, J.b
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/11/21
Akt
ligand–protein interactions
phosphoinositide 3‐kinase
quinoline‐type inhibitors
structure‐based pharmacophore modeling
virtual screening
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
Computational Biology and Chemistry, 2018
作者:
Yaping Li
;
Jiale Peng
;
Yeheng Zhou
;
Penghua Li
;
Yingying Li
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/02/28
Checkpoint
kinase
1
inhibitor
virtual
screening
pharmacophore
modeling
molecular
docking
molecular
dynamics
simulations
Identification of novel dual-specificity phosphatase 26 inhibitors by a hybrid virtual screening approach based on pharmacophore and molecular docking
期刊论文
2017, 卷号: 89, 页码: 376-385
作者:
Ren Ji-Xia
;
Cheng Zhong
;
Huang Yu-Xin
;
Zhao Jing-Feng
;
Guo Peng
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2020/01/04
DUSP26
Inhibitor
Homology modeling
Pharmacophore model
Docking study
Discovery of Potent Succinate-Ubiquinone Oxidoreductase Inhibitors via Pharmacophore-linked Fragment Virtual Screening Approach
期刊论文
Journal of Agricultural and Food Chemistry, 2016, 卷号: 64, 期号: 24, 页码: 4830-4837
作者:
Xiong, Li
;
Zhu, Xiao-Lei*
;
Gao, Hua-Wei
;
Fu, Yu(杨光富)
;
Hu, Sheng-Quan
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
complex II
molecular modeling
pharmacophore-linked fragment virtual screening
structure-based design
succinate-ubiquinone oxidoreductase
Identification of novel potent human testis-specific and bromodomain-containing protein (BRDT) inhibitors using crystal structure-based virtual screening
期刊论文
2016, 卷号: 38, 期号: 1, 页码: 39-44
作者:
Gao, Nana
;
Ren, Jixia
;
Hou, Li
;
Zhou, Yue
;
Xin, Ling
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/01/04
testis-specific and bromodomain-containing protein
pharmacophore modeling
molecular docking
male contraceptive
Homology modeling and virtual screening for inhibitors of lipid kinase PI(4)K from Plasmodium
期刊论文
2016, 卷号: 83, 页码: 798-808
作者:
Ren, Ji-Xia
;
Gao, Na-Na
;
Cao, Xue-Song
;
Hu, Quan-An
;
Xie, Yong
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2020/01/04
Lipid kinase PI(4)K
Homology modeling
Pharmacophore modeling
Virtual screening
The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhibitor
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2015, 卷号: 24, 页码: 2033-2042
作者:
Li, Yan
;
Wang, Dechao
;
Yang, Yinfeng
;
Zhang, Jingxiao
;
Han, Chunxiao
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Pyrimidine derivatives
HCV replication (replicase) inhibitors
Pharmacophore modeling
3D-QSAR
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