HADDOCK

HADDOCK-logo


HADDOCK (High Ambiguity Driven protein-protein DOCKing) is an information-driven flexible docking approach for the modeling of biomolecular complexes. HADDOCK distinguishes itself from ab-initio docking methods in the fact that it encodes information from identified or predicted protein interfaces in ambiguous interaction restraints (AIRs) to drive the docking process. HADDOCK can deal with a large class of modeling problems including protein-protein, protein-nucleic acids and protein-ligand complexes.
More information about HADDOCK2.2 can be found on the HADDOCK2.2 website.

Read also what an independent review by Moreira et al. has to say about our software…

HADDOCK is one of the flagship software in the EU H2020 BioExcel Center of Excellence for Biomolecular Research.


HADDOCK2.2 webserver

REGISTRATION: The use of the HADDOCK GRID-enabled docking server is free for academic users. Access to the server is managed through Single Sign On (SSO).

The default HADDOCK settings used by the server can be found here
A list of modified amino acids supported by HADDOCK can be found here


HADDOCK help center

You can post questions regarding the use of the HADDOCK web server using the BioExcel HADDOCK support center.

Refer further to the online HADDOCK software page and its manual.

The WeNMR site also provides a number of HADDOCK tutorials and a WIKI page to which you can contribute.


HADDOCK webserver statistics

Server statistics generated on: 2016-07-19 16:21:00

Number of running requests on Haddock: 3 , of which 2 are HADDOCK2.2 runs, and of which 3 on the WeNMR grid

Number of queued requests on Haddock: 2 of which 2 are HADDOCK2.2 runs

Total number of served requests as of June 1st 2008: 127834 , of which 44926 on the eNMR grid

Number of registered users: ( 6143 easy / 323 expert / 703 guru)

Number of registered users for the grid-enabled portal: 7572


References for use of the WeNMR GRID-enabled server

G.C.P van Zundert, J.P.G.L.M. Rodrigues, M. Trellet, C. Schmitz, P.L. Kastritis, E. Karaca, A.S.J. Melquiond, M. van Dijk, S.J. de Vries and (2016).
The HADDOCK2.2 webserver: User-friendly integrative modeling of biomolecular complexes.”
J. Mol. Biol., 428, 720-725 (2015).T.A. Wassenaar, M. van Dijk, N. Loureiro-Ferreira, G. van der Schot, S.J. de Vries, C. Schmitz, J. van der Zwan, R. Boelens, A. Giachetti, L. Ferella, A. Rosato, I. Bertini, T. Herrmann, H.R.A. Jonker, A. Bagaria, V. Jaravine, P. Guntert, H. Schwalbe, W.F. Vranken, J.F. Doreleijers, G. Vriend, G.W. Vuister, D. Franke, A. Kikhney, D.I. Svergun, R. Fogh, J. Ionides, E.D. Laue, C. Spronk, S. Jurka, M. Verlato, S. Badoer, S. Dal Pra, M. Mazzucato, E. Frizziero and A.M.J.J. Bonvin
WeNMR: Structural Biology on the Grid.
J. Grid. Comp., 10, 743-767 (2012).And add in addition the following text to the acknowledgment section:
“The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan and the US Open Science Grid.”

Server example

An example of the server output for the e2a-hpr example provided with the HADDOCK distribution can be found here. This is the result of the E2A-HPr demo run below via the “easy interface” using only chemical shift perturbations.

Tutorials

A demo web form for the easy interface with pre-loaded parameters is available here. It corresponds to the E2A-HPR docking example based on NMR chemical shift perturbations.

A tutorial describing the use of the HADDOCK web portal with various combinations of data is available here

A demo of the easy interface based on the above tutorial is available in YouTube, together with a 1 1/2 hour lecture on HADDOCK by Prof. A. Bonvin