e-Science Platform Construction Accelerates the Development of Rational Drug Design

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	e-Science Platform Construction Accelerates the Development of Rational Drug Design
	Hu Junchi 1; Xu Pan 1; Chen Yantao 1; Liu Tingting 2; Lu Dong 1; Xu Yuan 1; Yang Huaiyu 1; Luo Xiaomin1 ; Zhu Weiliang1 ; Zheng Mingyue1
刊名	Bulletin of the Chinese Academy of Sciences
	2016
卷号	31 期号:6 页码:624-638
关键词	e-Science rational drug design computer-aided drug design
ISSN号	1000-3045
其他题名	科研信息化助力合理药物设计新发展
文献子类	Article
英文摘要	As the big data era approaching, supercomputer-guided rational drug discovery and design provides a new opportunity for modern drug discovery. The infrastructure upgrades of e-science platform, including the high-performance computers' microprocessors development, and the appearance of new resource pattern, connect supercomputer with computational biology and computational chemistry, add new features to the traditional drug discovery and computer-aided drug design, as well as speed up the research process of the molecular dynamics simulation and the virtual screening. To illustrate the advantage of e-science platform in efficiency enhancement, cost reduction, process acceleration, risk management, as well as value improvement of research and innovative ability, this review covers a comprehensive range of the current development of rational drug design from three respects: the methodology research of drug design, the pharmacokinetics model design, and the drug design application.
WOS研究方向	Pharmacology & Pharmacy (provided by Clarivate Analytics)
语种	中文
CSCD记录号	CSCD:5735871
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/269248]
专题	药物发现与设计中心
通讯作者	Jiang Hualiang
作者单位	1.Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.; 2.School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
推荐引用方式 GB/T 7714	Hu Junchi,Xu Pan,Chen Yantao,et al. e-Science Platform Construction Accelerates the Development of Rational Drug Design[J]. Bulletin of the Chinese Academy of Sciences,2016,31(6):624-638.
APA	Hu Junchi.,Xu Pan.,Chen Yantao.,Liu Tingting.,Lu Dong.,...&Jiang Hualiang.(2016).e-Science Platform Construction Accelerates the Development of Rational Drug Design.Bulletin of the Chinese Academy of Sciences,31(6),624-638.
MLA	Hu Junchi,et al."e-Science Platform Construction Accelerates the Development of Rational Drug Design".Bulletin of the Chinese Academy of Sciences 31.6(2016):624-638.