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科研机构
上海药物研究所 [2]
过程工程研究所 [2]
中国农业科学院 [2]
昆明医科大学 [2]
湖南大学 [2]
中国医学科学院 北京... [2]
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期刊论文 [16]
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2019 [2]
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2017 [2]
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2012 [2]
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chemistry,... [1]
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Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target antifungal inhibitors.
期刊论文
Bioorganic & medicinal chemistry, 2019
作者:
Bin Sun
;
Yue Dong
;
Kang Lei
;
Jian Wang
;
Liyu Zhao
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
3D
QSAR
model
Amide-pyridine
compounds
Antifungal
activity
Dual-target
Molecular
docking
Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target antifungal inhibitors
期刊论文
Bioorganic & Medicinal Chemistry, 2019
作者:
Bin Sun
;
Yue Dong
;
Kang Lei
;
Jian Wang
;
Liyu Zhao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/17
Dual-target
Amide-pyridine
compounds
Antifungal
activity
Molecular
docking
3D
QSAR
model
In silico approaches to identify novel myeloid cell leukemia-1 (Mcl-1) inhibitors for treatment of cancer
期刊论文
2018, 卷号: 36, 期号: 9, 页码: 2424-2435
作者:
Ren, Ji-Xia
;
Li, Cheng-Ping
;
Zhou, Xiu-Ling
;
Cao, Xue-Song
;
Xie, Yong
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/01/03
Mcl-1
pharmacophore
3D QSAR
molecular docking
virtual screening
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 VP35 inhibitors: Virtual screening driven new scaffolds
期刊论文
2016, 卷号: 84, 页码: 199-207
作者:
Ren, Ji-Xia
;
Zhang, Rui-Tao
;
Zhang, Hui
;
Cao, Xue-Song
;
Liu, Li-Ke
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/01/04
Ebola virus
Viral Protein 35
Pharmacophore
3D QSAR
Docking study
3D QSAR Studies, Pharmacophore Modeling and Virtual Screening on a Series of Steroidal Aromatase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014, 卷号: 15, 期号: 11
作者:
Xie, Huiding
;
Qiu, Kaixiong
;
Xie, Xiaoguang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/04
steroidal aromatase inhibitors
3D QSAR
CoMFA
CoMSIA
pharmacophore
virtual screening
Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis
期刊论文
2014
Li, Li
;
Hu, Jianxin
;
Ho, Yuh-Shan
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
Quantitative structure-activity relationship (QSAR)
Quantitative structure-property relationship (QSPR)
Research trend
SCI-EXPANDED
Scientometrics
SCIENCE-CITATION-INDEX
MOLECULAR SIMILARITY INDEXES
HIV-1 INTEGRASE INHIBITORS
COMSIA 3D QSAR
BIOLOGICAL-ACTIVITY
ELECTROTOPOLOGICAL-STATE
THEORETICAL DESCRIPTORS
PARTITION-COEFFICIENTS
APPLICABILITY DOMAIN
RISK-ASSESSMENT
3D QSAR and docking studies of a series of histone deacetylase inhibitors
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 5, 页码: 2229-2241
作者:
Li, Xiaoguang
;
Zhang, Yingjie
;
Zhang, Lei
;
Xu, Yingying
;
Xu, Wenfang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
Histone deacetylases
Inhibitors
Antitumor
Molecule docking
Three-dimensional quantitative structure activity relationship (3D
QSAR)
Comparative molecular Field Analysis (CoMFA)
Comparative
molecular similarity indices analysis (CoMFSIA)
Synthesis, Bioactivities and Structure Activity Relationship of N-4-Methyl-1,2,3-thiadiazole-5-carbonyl-N '-phenyl Ureas
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2012, 卷号: 30, 期号: 10, 页码: 2522-2532
作者:
Guo Dandan
;
Wang Zhiwen
;
Fan Zhijin
;
Zhao Hui
;
Zhang Wei
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/04/17
4-methyl-1
2
3-thiadiazole derivatives
benzoylurea pesticides
insecticidal activity
3D QSAR model
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