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Enrichment factor analyses on G-protein coupled receptors with known crystal structure.

Abstract：

:G-protein coupled receptors (GPCRs) are highly relevant drug targets. Four GPCRs with known crystal structure were analyzed with docking (AutoDock4) and postdocking (MM-PBSA) in order to evaluate the ability to recognize known antagonists from a larger database of molecular decoys and to predict correct binding modes. Moreover, implications on multitarget drug screening are put forward. The results suggest that these methods may be of interest to the growing field of GPCR structure-based virtual screening.

journal_name

J Chem Inf Model

journal_title

Journal of chemical information and modeling

authors

Anighoro A,Rastelli G

doi

10.1021/ci4000745

subject

Has Abstract

pub_date

2013-04-22 00:00:00

pages

739-43

issue

4

eissn

1549-9596

issn

1549-960X

journal_volume

53

pub_type

杂志文章

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