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上海药物研究所 [3]
北京大学 [2]
中国医学科学院 北京... [2]
西安交通大学 [1]
中国科学院大学 [1]
山东大学 [1]
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期刊论文 [11]
发表日期
2016 [11]
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Identification and biochemical characterization of DC07090 as a novel potent small molecule inhibitor against human enterovirus 71 3C protease by structure-based virtual screening
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 124, 页码: 981-991
作者:
Ma, Guang-Hui
;
Ye, Yan
;
Zhang, Dan
;
Xu, Xin
;
Si, Pei
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
HFMD
EV71 3C(Pro)
Non-peptidyl inhibitor
Virtual screening
Identification of novel ezh2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
Bioorganic & medicinal chemistry letters, 2016, 卷号: 26, 期号: 15, 页码: 3813-3817
作者:
Wu, Yunlong
;
Hu, Junchi
;
Ding, Hong
;
Chen, Limin
;
Zhang, Yuanyuan
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/05/09
Ezh2
Epigenetics
Prc2
Computational drug design
Pharmacophore-based virtual screening
Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 卷号: 26, 期号: 15, 页码: 3813-3817
作者:
Wu, Yunlong
;
Hu, Junchi
;
Ding, Hong
;
Chen, Limin
;
Zhang, Yuanyuan
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/01/08
EZH2
Epigenetics
PRC2
Computational drug design
Pharmacophore-based virtual screening
Applying high-performance computing in drug discovery and molecular simulation
期刊论文
NATIONAL SCIENCE REVIEW, 2016, 卷号: 3, 期号: 1, 页码: 49-63
作者:
Liu, Tingting
;
Lu, Dong
;
Zhang, Hao
;
Zheng, Mingyue
;
Yang, Huaiyu
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2019/01/08
high-performance computing
computational drug discovery and design
virtual screening
molecular dynamics simulation
protein folding
A bitter pill for type 2 diabetes? The activation of bitter taste receptor TAS2R38 can stimulate GLP-1 release from enteroendocrine L-cells
期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2016, 卷号: 475, 期号: [db:dc_citation_issue], 页码: 295-300
作者:
Hung Pham
;
Hui, Hongxiang
;
Morvaridi, Susan
;
Cai, Jiena
;
Zhang, Sanqi
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/02
GLP-1
Virtual ligand screening
Enteroendocrine L-cell
GPCR structure prediction
Gut receptors
Diabetes
Discovery of Non-ATP-Competitive Inhibitors of Polo-like Kinase1
期刊论文
CHEMMEDCHEM, 2016
Yun, Taikangxiang
;
Qin, Tan
;
Liu, Ying
;
Lai, Luhua
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
inhibitors
kinase domain
non-ATP binding site
polo-like kinase1
virtual screening
1 PLK1 INHIBITORS
P38 MAP KINASE
CANCER-THERAPY
BINDING-SITE
BOX DOMAIN
PROTEIN
POLO-LIKE-KINASE-1
IDENTIFICATION
APOPTOSIS
DESIGN
Drug discovery of neurodegenerative disease through network pharmacology approach in herbs
期刊论文
BIOMEDICINE & PHARMACOTHERAPY, 2016
Ke, Zhipeng
;
Zhang, Xinzhuang
;
Cao, Zeyu
;
Ding, Yue
;
Li, Na
;
Cao, Liang
;
Wang, Tuanjie
;
Zhang, Chenfeng
;
Ding, Gang
;
Wang, Zhenzhong
;
Xu, Xiaojie
;
Xiao, Wei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
Neurodegenerative diseases
Network pharmacology
Drug discovery
Virtual screening
ALZHEIMERS-DISEASE
PARKINSONS-DISEASE
NATURAL-PRODUCTS
DISORDERS
TARGET
MODEL
ACETYLCHOLINESTERASE
THERAPEUTICS
INFORMATION
MECHANISMS
Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles
期刊论文
NANOTOXICOLOGY, 2016, 卷号: 10, 期号: 3, 页码: 374-383
作者:
Fourches, Denis
;
Pu, Dongqiuye
;
Li, Liwen
;
Zhou, Hongyu
;
Mu, Qingxin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/16
Carbon nanotubes
cheminformatics
nanotoxicity
QSAR
virtual screening
Discovery of Potent Succinate-Ubiquinone Oxidoreductase Inhibitors via Pharmacophore-linked Fragment Virtual Screening Approach
期刊论文
Journal of Agricultural and Food Chemistry, 2016, 卷号: 64, 期号: 24, 页码: 4830-4837
作者:
Xiong, Li
;
Zhu, Xiao-Lei*
;
Gao, Hua-Wei
;
Fu, Yu(杨光富)
;
Hu, Sheng-Quan
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
complex II
molecular modeling
pharmacophore-linked fragment virtual screening
structure-based design
succinate-ubiquinone oxidoreductase
Discovery of Influenza A virus neuraminidase inhibitors using support vector machine and Na < ve Bayesian models
期刊论文
2016, 卷号: 20, 期号: 2, 页码: 439-451
作者:
Lian, Wenwen
;
Fang, Jiansong
;
Li, Chao
;
Pang, Xiaocong
;
Liu, Ai-Lin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2020/01/04
Influenza virus
Neuraminidase inhibitor
Support vector machine
Naive Bayesian
Virtual screening
H1N1
H3N2
SVM
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