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中国医学科学院 北京... [3]
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期刊论文 [11]
发表日期
2017 [11]
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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
An enantiomer-based virtual screening approach: Discovery of chiral organophosphates as acetyl cholinesterase inhibitors
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2017, 卷号: 138, 期号: 0, 页码: 215-222
作者:
Zhang, Aiqian
;
Mu, Yunsong
;
Wu, Fengchang
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/07/26
Chiral Organophosphates
Enantioselectivity
In Vitro testIng
Molecular Docking
Virtual Screening
Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, 卷号: 27, 期号: 2, 页码: 342-346
作者:
Shao, Zhiyuan
;
Xu, Pan
;
Xu, Wen
;
Li, Linjuan
;
Liu, Shien
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/01/08
Epigenetics
DNMT3A inhibitors
Virtual screening
Molecular docking
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
Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, 卷号: 27, 期号: 2
作者:
Shao, Zhiyuan
;
Xu, Pan
;
Xu, Wen
;
Li, Linjuan
;
Liu, Shien
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/05
Epigenetics
DNMT3A inhibitors
Virtual screening
Molecular docking
PDTCM: a systems pharmacology platform of traditional Chinese medicine for psoriasis
期刊论文
ANNALS OF MEDICINE, 2017
Wang, Dongmei
;
Gu, Jiangyong
;
Zhu, Wei
;
Luo, Fang
;
Chen, Lirong
;
Xu, Xiaojie
;
Lu, Chuanjian
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
High throughput virtual screening
psoriasis
systems pharmacology
target prediction
traditional Chinese medicine
DRUG DISCOVERY
NATURAL-PRODUCTS
CHEMICAL SPACE
EVOLVING ROLE
PSORI-CM01
VULGARIS
DATABASE
THERAPY
FORMULA
PATHOGENESIS
Pharmacophore-Based Virtual Screening of Novel Inhibitors and Docking Analysis for CYP51A from Penicillium italicum
期刊论文
Marine Drugs, 2017, 卷号: 15, 期号: 4, 页码: 107-
作者:
Yuan, Yongze
;
Han, Rui
;
Cao, Qianwen
;
Yu, Jinhui
;
Mao, Jiali
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Penicillium italicum
PiCYP51A
demethylase inhibitors
molecular docking
pharmacophore
virtual screening
Discovery of Cdc25A Lead Inhibitors with a Novel Chemotype by Virtual Screening: Application of Pharmacophore Modeling Based on a Training Set with a Limited Number of Unique Components
期刊论文
CHEMMEDCHEM, 2017, 卷号: 12, 期号: 6
作者:
Ge, Yu-Shu
;
Han, Qian-Qian
;
Duan, Wenxiu
;
Zhang, Jia-Qi
;
Chen, Kai
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
cytotoxicity
inhibitors
molecular modeling
structure-activity relationships
virtual screening
A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors
期刊论文
2017, 卷号: 18, 期号: 1
作者:
Hu, Huabin
;
Xia, Jie
;
Wang, Dongmei
;
Wang, Xiang Simon
;
Wu, Song
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/01/03
HDAC3 inhibitors
anti-diabetes
virtual screening
MUBD-HDACs
benchmarking calculation
Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors
期刊论文
2017, 卷号: 22, 期号: 6
作者:
Xia, Jie
;
Feng, Bo
;
Shao, Qianhang
;
Yuan, Yuhe
;
Wang, Xiang Simon
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/01/04
apoptosis
phosphoglycerate kinase 1
terazosin
virtual screening
Parkinson's disease
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