Titre
SwissDock, a protein-small molecule docking web service based on EADock DSS.
Type
article
Institution
UNIL/CHUV/Unisanté + institutions partenaires
Périodique
Auteur(s)
Grosdidier, A.
Auteure/Auteur
Zoete, V.
Auteure/Auteur
Michielin, O.
Auteure/Auteur
Liens vers les personnes
Liens vers les unités
ISSN
1362-4962
Statut éditorial
Publié
Date de publication
2011
Volume
39
Numéro
Suppl. 2
Première page
W270
Dernière page/numéro d’article
W277
Langue
anglais
Notes
Publication types: Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov'tPublication Status: ppublish
Résumé
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.
PID Serval
serval:BIB_2ACC4D68799A
PMID
Open Access
Oui
Date de création
2011-10-25T07:33:36.746Z
Date de création dans IRIS
2025-05-20T18:14:43Z
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Nom
BIB_2ACC4D68799A.P001.pdf
Version du manuscrit
preprint
Taille
3.54 MB
Format
Adobe PDF
PID Serval
serval:BIB_2ACC4D68799A.P001
URN
urn:nbn:ch:serval-BIB_2ACC4D68799A8
Somme de contrôle
(MD5):c55b42b2a360d126ddf6fa936b838676