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昆明植物研究所 [3]
上海药物研究所 [2]
大连化学物理研究所 [2]
厦门大学 [1]
北京大学 [1]
西北高原生物研究所 [1]
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期刊论文 [11]
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Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:
Weng, Zhiying
;
Xu, Guowei
;
Chen, Dingyuan
;
Yang, Yaqing
;
Song, Gao
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/03/18
delta opioid receptor agonists
3D-QSAR
Homology modeling
Molecular dynamics simulation
Molecular docking
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:
Li, Yaping
;
Pu, Yinglan
;
Liu, Hui
;
Zhang, Li
;
Liu, Xingyong
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
Computational Studies on Acetylcholinesterases
期刊论文
MOLECULES, 2017, 卷号: 22, 期号: 8
作者:
Xu, Yechun
;
Cheng, Shanmei
;
Sussman, Joel L.
;
Silman, Israel
;
Jiang, Hualiang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
acetylcholinesterase
computational modeling and simulation
active-site gorge
ligand trafficking
oligomer
catalytic reaction mechanism
Exploring the interactions between isoprenoid chain and labdenediol diphosphate synthase based on molecular docking and quartz crystal microbalance
期刊论文
journal of molecular modeling, 2014, 卷号: 20, 期号: 12, 页码: 2527
作者:
Liu, Wujun
;
Yang, Wei
;
Zhang, Yixin
;
Zhao, Zongbao Kent
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  |  
浏览/下载:23/0
  |  
提交时间:2015/11/16
Homology modeling
Isoprenoid chain
Labdenediol diphosphate synthase
Molecular docking
Quartz crystal microbalance
Docking control of autonomous aerial refueling for UAV based on LQR
其他
2013-01-01
Wu, Shunxiang
;
Zhang, Lixiao
;
Xu, Wenlong
;
Zhou, Ting
;
Luo, Delin
;
吴顺祥
;
罗德林
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Air refueling
Probes
State feedback
Theoretical studies on the interaction of biphenyl inhibitors with Mycobacterium tuberculosis protein tyrosine phosphatase MptpB
期刊论文
journal of molecular modeling, 2012, 卷号: 18, 期号: 8, 页码: 3847-3856
作者:
Dong, Lihua
;
Shi, Junyou
;
Liu, Yongjun
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2013/03/15
Tyrosine phosphatase B
Biphenyl inhibitor
Interaction
Molecular docking
Molecular dynamics simulation
Studies of H4R antagonists using 3D-QSAR, molecular docking and molecular dynamics
期刊论文
journal of molecular modeling, 2012, 卷号: 18, 期号: 3, 页码: 991-1001
作者:
Liu, Jing
;
Li, Yan
;
Zhang, Hui-Xiao
;
Zhang, Shu-Wei
;
Yang, Ling
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/12
3D-QSAR
H4R antagonist
CoMFA
CoMSIA
MD
Docking
Specific inhibitions of annonaceous acetogenins on class II 3-hydroxy-3-methylglutaryl coenzyme A reductase from Streptococcus pneumoniae
期刊论文
Bioorganic and Medicinal Chemistry, 2011, 卷号: 19, 期号: 11, 页码: 3512-3519
作者:
Feng, Lingling*
;
Zhou, Li
;
Sun, Yao
;
Gui, Jie
;
Wang, Xiaofeng
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/23
ACG
annonaceous acetogenin
HMG-CoA
3-hydroxy-3-methylglutaryl coenzyme A
HMGR
3-hydroxy-3-methylglutaryl coenzyme A reductase
IPTG
isopropyl β-d-1-thiogalactopyranoside
d
SDS–PAGE
sodium dodecyl sulfate–polyacrylamide gel electrophoresis
S. pneumoniae
Streptococcus pneumoniae
THF
tetrahydrofuran
Annonaceous acetogenin
3-Hydroxy-3-methylglutaryl coenzyme A reductase (class II HMGR)
Inhibition
Streptococcus pneumoniae
Computer modeling and docking simulation
Binding mechanism of h5n1 influenza virus neuraminidase with ligands and its implication for drug design
期刊论文
Medicinal chemistry, 2009, 卷号: 5, 期号: 3, 页码: 242-249
作者:
Gong, Ke
;
Li, Lin
;
Wang, Jing-Fang
;
Cheng, Feng
;
Wei, Dong-Qing
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/05/10
H5n1
Avian influenza
Bird flu
Drug design
Neuraminidase
Structural bioinformatics
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