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After 13 years of service and 6 months following the release of the new version, support for the old SwissDock will end at the beginning of September 2024. We strongly advise you to switch your docking calculations to the new SwissDock , which features an upgraded interface, simplified input, enhanced visualizations and a dual docking engine.
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What?

This website provides an access to:

  • SwissDock, a web service to predict the molecular interactions that may occur between a target protein and a small molecule.

  • S3DB, a database of manually curated target and ligand structures, inspired by thei Ligand-Protein Database.

Would you like to organize a workshop? Please let us know so that we can adjust the computing resources accordingly.

Why?

  • Propose a binding mode for a ligand

  • Create figures for your articles

  • Generate a complex to perform subsequent calculations

  • Design inhibitors for the target of your choice

How?

SwissDock is based on the docking software EADock DSS, whose algorithm consists of the following steps:

  1. many binding modes are generated either in a box (local docking) or in the vicinity of all target cavities (blind docking).

  2. simultaneously, their CHARMM energies are estimated on a grid.

  3. the binding modes with the most favorable energies are evaluated with FACTS, and clustered.

  4. the most favorable clusters can be visualized online and downloaded on your computer.

EADock DSS

Who?

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.

EADock and SwissDock have been funded by the FNS project grant #310030_130857 and the Swiss Institute of Bioinformatics

Links?

You can easily create direct links to the SwissDock submission form, preloaded with protein and ligand structures defined as URLs:

Sample link

Inspect the source code of this page to see how easy it is !

Cite?

If you use this webservice, please let us know and cite:

This server is free for academic use. A CHARMm license is required for users from private companies.
Please contact us if you need your own private SwissDock service.

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