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虚拟筛选的进展。

Advances in virtual screening.

作者信息

Muegge Ingo, Oloff Scott

机构信息

Boehringer Ingelheim Pharmaceuticals Inc., 900 Ridgebury Road, Ridgefield, P.O. Box 368, CT 06877-368, USA.

出版信息

Drug Discov Today Technol. 2006 Winter;3(4):405-411. doi: 10.1016/j.ddtec.2006.12.002. Epub 2007 Jan 12.

Abstract

Although the term virtual screening as the analog of high throughput screening has been coined only a decade ago, virtual screening is now a widespread lead identification method in the pharmaceutical industry. A myriad of different methods have been developed exploiting the growing library of target structures and assay data as a basis for finding new lead structures. Exploiting synergies between different methods best utilizes the information available and is at the center of recent developments.

摘要

尽管“虚拟筛选”作为高通量筛选的类似物这一术语是在仅仅十年前才被创造出来的,但虚拟筛选如今已是制药行业中一种广泛应用的先导物识别方法。人们已经开发出无数种不同的方法,利用不断增长的目标结构库和检测数据作为寻找新先导结构的基础。利用不同方法之间的协同作用能够最佳地利用现有信息,并且是当前发展的核心。

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