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SUMMARY:Information-driven modelling of biomolecular complexes. - Prof. Al
 exandre Bonvin\, Faculty of Science\, Utrecht University
DTSTART:20100127T103000Z
DTEND:20100127T113000Z
UID:TALK23006@talks.cam.ac.uk
CONTACT:8272
DESCRIPTION: With the presently available amount of genetic information\, 
 a lot of attention focuses on systems biology and in particular on biomole
 cular interactions. Considering the huge number of such interactions\, and
  their often weak and transient nature\, conventional experimental methods
  such as X-ray crystallography and NMR spectroscopy will not be sufficient
  to gain structural insight into those. A wealth of biochemical and/or bio
 physical data can however easily be obtained for biomolecular complexes. C
 ombining these data with docking\, the process of modeling the 3D structur
 e of a complex from its known components\, should provide valuable structu
 ral information and complement the classical structural methods. \n\n We h
 ave developed for this purpose a data-driven docking approach called HADDO
 CK (High Ambiguity Driven protein–protein DOCKing) (http://www.nmr.chem.
 uu.nl/haddock)\, which is now also available as web server (http://www.had
 docking.org/). HADDOCK distinguishes itself from ab-initio docking methods
  in the fact that it encodes information from identified or predicted prot
 ein interfaces in ambiguous interaction restraints (AIRs) to drive the doc
 king process. Flexibility is accounted for in different ways during the do
 cking\, which allows to model (small) conformational changes taking place 
 during complex formation.\n\n In my talk I will present the current status
  of HADDOCK development and illustrate it with examples from our laborator
 y together with results from our participation to the blind docking experi
 ment CAPRI (Critical Assessment of PRedicted Interactions) (http://capri.e
 bi.ac.uk <http://capri.ebi.ac.uk/> ). Finally I will discuss some of the s
 till open challenges in this field.
LOCATION:Unilever Lecture Theatre\, Unilever Centre\, Department of Chemis
 try
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