This website provides an access to:
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SwissDock , a web service to predict the molecular interactions that may occur between a target protein and a small molecule.
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S3DB , a database of manually curated target and ligand structures, inspired by the Ligand-Protein Database.
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Propose a binding mode for a ligand
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Create figures for your articles
Generate a complex to perform subsequent calculations
Design inhibitors for the target of your choice
SwissDock is based on the docking software EADock DSS, whose algorithm consists of the following steps:
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many binding modes are generated either in a box (local docking) or in the vicinity of all target cavities (blind docking).
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simultaneously, their CHARMM energies are estimated on a grid.
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the binding modes with the most favorable energies are evaluated with FACTS, and clustered.
the most favorable clusters can be visualized online and downloaded on your computer.
SwissDock and S3DB are developed by Aurélien Grosdidier, Vincent Zoete and Olivier Michielin, from the Molecular Modeling Group of the Swiss Institute of Bioinformatics in Lausanne, Switzerland.
You can easily create direct links to the SwissDock submission form, preloaded with protein and ligand structures defined as URLs:
Inspect the source code of this page to see how easy it is !
If you use this webservice, please let us know and cite: