A computational approach to finding novel targets for existing drugs.

Repositioning existing drugs for new therapeutic uses is an efficient approach to drug discovery. We have developed a computational drug repositioning pipeline to perform large-scale molecular docking of small molecule drugs against protein drug targets, in order to map the drug-target interaction s...

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Bibliographic Details
Main Authors: Yvonne Y Li, Jianghong An, Steven J M Jones
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2011-09-01
Series:PLoS Computational Biology
Online Access:http://europepmc.org/articles/PMC3164726?pdf=render