This is the easy interface to the HADDOCK docking program. Please define the structure for each molecule you want to dock as well as the residues belonging to the interaction interface.
Docking is performed with default settings that work well for average complexes. If you do not have any special wishes for the system you want to have docked, this is the way to go.
Unfold the menus by clicking on the double arrows. Submit your job by providing your username and password and press submit.
For questions about the use of the HADDOCK portal please refer to: ask.bioexcel.eu
You may supply a name for your docking run (one word)
Name
First molecule
Structure definition
Where is the structure provided?
Which chain of the structure must be used?
PDB structure to submit
or: PDB code to download
Restraint definition
Data to drive the docking
Please supply residues as comma-separated lists of residue numbers
Active residues (directly involved in the interaction)
Passive residues (surrounding surface residues)
Define passive residues automatically around the active residues
What kind of molecule are you docking?
Second molecule
Structure definition
Where is the structure provided?
Which chain of the structure must be used?
PDB structure to submit
or: PDB code to download
Restraint definition
Data to drive the docking
Please supply residues as comma-separated lists of residue numbers
Active residues (directly involved in the interaction)
Passive residues (surrounding surface residues)
Define passive residues automatically around the active residues
What kind of molecule are you docking?
Username and password
Username
Password