A worldwide e-Infrastructure for NMR and structural biology

HADDOCK portal - easy interface use case

A pre-filled web form for use of HADDOCK via its easy interface is available from the following links:

This use case example describes a simple docking from PDBs directly downloaded from the PDB database with active and passive residues defined based on chemical shift perturbation data (refer to the HADDOCK tutorial for a more detailed description of the data). You will need login credentials in order to be able to run those use cases.

Utrecht local server registration: http://haddock.science.uu.nl/services/HADDOCK/signup-grid-enmr.html

WeNMR Grid-enabled server registration: http://haddock.science.uu.nl/enmr/services/HADDOCK/signup-grid-enmr.html

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Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"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."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858