Christophe Schmitz home page on

Paramagnetic NMR


PCS-HADDOCK: Protein-Protein HADDOCKing using exclusively Pseudocontac Shifts.

PCS-HADDOCK is a module of the famous Protein Protein docking software packages HADDOCK. It alows the incorporation of PCS restraints into HADDOCK to drive and refine the docking. The module will be available hopefully in March 2012, on HADDOCK2.2 and via the HADDOCK web server. A detailed description of the software can be found in this publication: 


Christophe Schmitz and Alexandre M.J.J. Bonvin (2011). Protein-Protein HADDOCKing using exclusively Pseudocontact Shifts. Journal of Biomolecular NMR. 50:263-266
Article: [PDF] Supplementary material: [PDF]

You can download the poster presented at the NWO meeting 2010 in Veldhoven. 3rd prize ;-)

You can also download the powerpoint presentation


Soon some screenshots of the web interface of HADDOCK with the PCS dedicated menu...