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昆明植物研究所 [17]
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期刊论文 [17]
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2020 [4]
2019 [3]
2018 [3]
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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:17/0
  |  
提交时间:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
Virtual Screening for Type II B Inhibitors of B-Raf(V600E) Kinase
期刊论文
CURRENT COMPUTER-AIDED DRUG DESIGN, 2020
作者:
Qiu, Kai-Xiong
;
Zhang, Wen
;
Yu, Fang
;
Li, Wei
;
Sun, Zhong-Wen
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/01/05
Ensemble-based virtual screening in discovering potent inhibitors targeting Von Hippel-Lindau (VHL) E3 ubiquitin ligase
期刊论文
LIFE SCIENCES, 2020
作者:
Liu, Yi
;
Lei, Yu
;
Guo, Sheng
;
Zuo, Zhili
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/01/05
The discovery, design and synthesis of potent agonists of adenylyl cyclase type 2 by virtual screening combining biological evaluation
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020
作者:
Xu, Guowei
;
Yang, Yaqing
;
Yang, Yanming
;
Song, Gao
;
Li, Shanshan
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/01/05
Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906
作者:
Li, Yaping
;
Wu, Dong-mei
;
Kong, Ling-mei
;
Zhang, Shuqun
;
Du, Haibo
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/03/26
bioassay
ensemble docking
scoring function
virtual screening
Wee1 inhibitors
Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816
作者:
Wang, Dong
;
Li, Zhaoyang
;
Liu, Yi
;
Chen, Mo
;
Chen, Nianhang
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/09/10
BRS-3D
monoamine oxidase selective inhibitors
virtual screening
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:
Zhou, Yeheng
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Natural Breviscapin, Mangiferin, and a Modified Mangostin Present Inhibitory Effect on Dipeptidyl Peptidase-IV
期刊论文
CHEMISTRYSELECT, 2018, 卷号: 3, 期号: 39, 页码: 10864-10868
作者:
Hou, Bo
;
Kuang, Meng-Ting
;
Chi, Xiao-Qian
;
Li, Jin-Yu
;
Yang, Liu
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2018/12/03
DPP-IV inhibitors
Scutellaria baicalensis
Mango
Natural products
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
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:50/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
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