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 the Ligand-Protein Database.
Would you like to organize a workshop? Please let us know so that we can adjust the computing resources accordingly.
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
SwissDock is based on the docking software EADock DSS, whose algorithm consists of the following steps:
many binding modes are generated either in a box (local docking) or in the vicinity of all target cavities (blind docking).
simultaneously, their CHARMM energies are estimated on a grid.
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.
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:
- SwissDock, a protein-small molecule docking web service based on EADock DSS.
- Fast docking using the CHARMM force field with EADock DSS.
Feel free to check a list of selected papers who cites us.
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.