SwissDock, a protein-small molecule docking web service based on EADock DSS.

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ID: 94275
2011
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Abstract
Most life science processes involve, at the atomic scale, recognition between two molecules. The prediction of such interactions at the molecular level, by so-called docking software, is a non-trivial task. Docking programs have a wide range of applications ranging from protein engineering to drug design. This article presents SwissDock, a web server dedicated to the docking of small molecules on target proteins. It is based on the EADock DSS engine, combined with setup scripts for curating common problems and for preparing both the target protein and the ligand input files. An efficient Ajax/HTML interface was designed and implemented so that scientists can easily submit dockings and retrieve the predicted complexes. For automated docking tasks, a programmatic SOAP interface has been set up and template programs can be downloaded in Perl, Python and PHP. The web site also provides an access to a database of manually curated complexes, based on the Ligand Protein Database. A wiki and a forum are available to the community to promote interactions between users. The SwissDock web site is available online at http://www.swissdock.ch. We believe it constitutes a step toward generalizing the use of docking tools beyond the traditional molecular modeling community.
Reference Key
grosdidier2011swissdocknucleic Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Grosdidier, Aurélien;Zoete, Vincent;Michielin, Olivier;
Journal Nucleic Acids Research
Year 2011
DOI
10.1093/nar/gkr366
URL
Keywords
genomic resources comparative analysis neisseria neisseriabase pairwise genome comparison tool pathogenomics profiling tool

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