QQ客服 官方微博 反馈留言

	Recent development and application of virtual screening in drug discovery: An overview
	Hou, TJ ; Xu, XJ
刊名	current pharmaceutical design
	2004
关键词	virtual screening molecular docking database screening pharmacophore modeling ADME structure-based drug design scoring function de novo drug design PROTEIN-LIGAND INTERACTIONS DE-NOVO DESIGN DOPAMINE TRANSPORTER INHIBITORS PHARMACOPHORE-BASED DISCOVERY HUMAN ORAL BIOAVAILABILITY SMALL-MOLECULE INHIBITORS HUMAN CARBONIC-ANHYDRASE FREE-ENERGY CALCULATIONS BINDING FREE-ENERGIES SCORING FUNCTION
DOI	10.2174/1381612043452721
英文摘要	Virtual screening, especially the structure-based virtual screening, has emerged as a reliable, cost-effective and time-saving technique for the discovery of lead compounds. Here, the basic ideas and computational tools for virtual screening have been briefly introduced, and emphasis is placed on aspects of recent development of docking-based virtual screening, scoring functions in molecular docking and ADME/Tox-based virtual screening in the past three years (2000 to 2003). Moreover, successful examples are provided to further demonstrate the effectiveness of virtual screening in drug discovery.; Pharmacology & Pharmacy; SCI(E); PubMed; 94; REVIEW; 9; 1011-1033; 10
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/346264]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Hou, TJ,Xu, XJ. Recent development and application of virtual screening in drug discovery: An overview[J]. current pharmaceutical design,2004.
APA	Hou, TJ,&Xu, XJ.(2004).Recent development and application of virtual screening in drug discovery: An overview.current pharmaceutical design.
MLA	Hou, TJ,et al."Recent development and application of virtual screening in drug discovery: An overview".current pharmaceutical design (2004).

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。