Virtual screening: a real screening complement to high-throughput screening

被引：37

作者：

Mestres, J ^{[1
]}

机构：

[1] Organon Res Labs Ltd, Computat Med Chem, Newhouse ML1 5SH, Lanark, Scotland

来源：

BIOCHEMICAL SOCIETY TRANSACTIONS | 2002年 / 30卷

关键词：

flexible superposition; hit identification; oestrogen receptor alpha;

D O I：

10.1042/bst0300797

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Virtual screening is being routinely used as an integral part of today's hit-identification strategies for, on one hand, prioritizing large corporate screening collections and, on the other hand, to extend the scope of screening to external data-bases. A brief description of the essential elements required for virtual screening and an application example to the identification of agonist hits for the oestrogen receptor subtype ERalpha are presented.

引用

页码：797 / 799

页数：3

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