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上海药物研究所 [2]
昆明医科大学 [2]
大连化学物理研究所 [1]
昆明植物研究所 [1]
四川大学 [1]
中国医学科学院 北京... [1]
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期刊论文 [8]
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Efficient synthesis, biological evaluation, and docking study of isatin based derivatives as caspase inhibitors
期刊论文
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2020, 卷号: 35, 期号: 1, 页码: 1674-1684
作者:
Firoozpour, Loghman
;
Gao, Lixin
;
Moghimi, Setareh
;
Pasalar, Parvin
;
Davoodi, Jamshid
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/12/24
Caspase inhibitor
Isatin sulphonamides
docking studies
Pharmacophore
apoptosis
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase.
期刊论文
Current computer-aided drug design, 2019
作者:
Qiu Kai-Xiong
;
Zhang Wen
;
Yu Fang
;
Li Wei
;
Sun Zhong-Wen
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/04
B-RafV600E Kinase
Type ⅡB Inhibitors
Virtual Screening
Pharmacophore Modelling
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, 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
Binding mode of inhibitors and Cryptosporidium parvum IMP dehydrogenase: A combined ligand- and receptor-based study
期刊论文
2015, 卷号: 26, 期号: 5, 页码: 421-438
作者:
Li, R.J.
;
Wang, Y.L.
;
Wang, Q.H.
;
Huang, W.X.
;
Wang, J.
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  |  
浏览/下载:2/0
  |  
提交时间:2020/01/13
molecular docking
inhibitors
pharmacophore modelling
cryptosporidium parvum
IMPDH
Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin alpha(v)beta(3)/alpha(IIb)beta(3) dual antagonists using 3D-QSAR and molecular docking
期刊论文
journal of molecular graphics & modelling, 2011, 卷号: 29, 期号: 5, 页码: 747-762
作者:
Yan, Yulian
;
Li, Yan
;
Zhang, Shuwei
;
Ai, Chunzhi
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  |  
浏览/下载:48/0
  |  
提交时间:2015/11/12
3D-QSAR
Integrin alpha(v)beta(3)
Integrin alpha(IIb)beta(3)
Antagonist
CoMFA
CoMSIA
Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation
期刊论文
BMC BIOINFORMATICS, 2009, 卷号: 10
作者:
Liu, Xiaofeng
;
Bai, Fang
;
Ouyang, Sisheng
;
Wang, Xicheng
;
Li, Honglin
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  |  
浏览/下载:10/0
  |  
提交时间:2019/01/08
Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2
期刊论文
Journal of Molecular Graphics and Modelling, 2008, 卷号: Vol.27 No.4, 页码: 430-438
-
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  |  
浏览/下载:8/0
  |  
提交时间:2019/03/05
Pharmacophore
CDK2
inhibitors
Protein
kinase
Virtual
screening
Structure-based
method
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