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科研机构
北京大学 [4]
兰州大学 [3]
上海药物研究所 [3]
清华大学 [2]
兰州理工大学 [1]
西安交通大学 [1]
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期刊论文 [18]
会议论文 [3]
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2017 [2]
2016 [6]
2014 [4]
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2011 [1]
2010 [5]
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chemistry [1]
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材料科学与物理化学 [1]
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Computational Screening of Zeolite Catalysts for MTO Reaction
期刊论文
CHEMISTRYSELECT, 2017, 卷号: 2, 期号: 31, 页码: 10290-10294
作者:
Sun, Lei
;
Deng, Wei-Qiao
;
Zhang, Ya-Dong
;
Liu, Xue-Jing
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
Adsorption
Computational Screening
Gcmc Simulations
Mto Intermediates
Zeolite Topologies
Impedimetric Enzyme-Free Detection of Glucose via a Computation-Designed Molecularly Imprinted Electrochemical Sensor Fabricated on Porous Ni Foam
期刊论文
ELECTROANALYSIS, 2017, 卷号: 29, 期号: 5, 页码: 1243-1251
作者:
Li, X.[1]
;
Niu, X. H.[2]
;
Wu, H. Y.[3]
;
Meng, S. C.[4]
;
Zhang, W. C.[5]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/24
Molecularly imprinted electrochemical sensor
Glucose
Impedimetric analysis
Non-enzymatic detection
Computational 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:38/0
  |  
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:32/0
  |  
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
Characterizing a lubricant additive for 1,3,4-tri-(2-octyldodecyl) cyclopentane: Computational study and experimental verification
期刊论文
Friction, 2016, 卷号: 4, 期号: 3, 页码: 257-265
作者:
Nian JY(念敬妍)
;
Si YF(司一帆)
;
Guo ZG(郭志光)
;
Gao P(高平)
;
Liu WM(刘维民)
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2016/10/21
1,3,4-tri-(2-octyldodecyl) cyclopentane
lubricant additive
computational screening
lubrication mechanism
experimental verification
Making better CRISPR libraries
期刊论文
ELIFE, 2016
Zhu, Shiyou
;
Wei, Wensheng
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
CRISPR,chromosomes,computational biology,genes,genetic screening,human,nucleosomes,systems biology
HUMAN GENOME
HUMAN-CELLS
ENDONUCLEASE
ACTIVATION
DESIGN
CAS9
Automatic screening of cervical cells using block image processing
期刊论文
BioMedical Engineering Online, 2016, 卷号: Vol.15 No.1
作者:
Zhao, M.a
;
Wu, A.a
;
Song, J.b
;
Sun, X.b
;
Dong, N.a
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/11/21
Block image processing
Cervical cells screening
Computational complexity
Features selection
SVM
Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2014, 卷号: 111, 期号: 37, 页码: 13517-13522
作者:
Zhang, Jie
;
Liu, Hongchuan
;
Zhu, Kongkai
;
Gong, Shouzhe
;
Dramsi, Shaynoor
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
nosocomial infection
LPXTG motif
antivirulence
computational screening
Discovery of binding proteins for a protein target using protein-protein docking-based virtual screening
期刊论文
proteins structure function and bioinformatics, 2014
Zhang, Changsheng
;
Tang, Bo
;
Wang, Qian
;
Lai, Luhua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
protein-protein docking
virtual screening
protein design
protein-protein interaction prediction
binding energy landscape
TNF alpha
COMPUTATIONAL DESIGN
CRYSTAL-STRUCTURE
DRUG DESIGN
TNF-ALPHA
THERAPEUTICS
PERSPECTIVE
PREDICTION
SCAFFOLDS
EVOLUTION
BIOLOGY
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