The BioInformer nr. 3, 1998 -- FTDOCK 1.0




	A publication of EMBL - Outstation Hinxton, The European Bioinformatics Institute


		FTDOCK 1.0 Introduction The growing number of individual structures in the crystallographic databases and the relatively small number of solved complexes makes predictive docking an important theoretical method. FTDOCK performs rigid-body docking on two biomolecules in order to predict their correct binding geometry. FTDOCK outputs multiple predictions that can be screened using biochemical information. FTDOCK docks two rigid molecules using the shape correlation algorithm of Katchalski-Katzir and coworkers plus a compatible electrostatics function developed in the BioMolecular Modeling Laboratory. FTDOCK has been tested on several protein-protein systems with good results. This work is described in Gabb HA, Jackson RM, and Sternberg MJE, "Modelling protein docking using shape complementarity, electrostatics, and biochemical information." JMol Biol (1997), 272, 106-120. Availability FTDOCK was developed under Irix (versions 5.3 and 6.2) but should run on any UNIX computer. FTDOCK is available free-of-charge to academic and non-profit researchers. Commercial users should contact either Dr Diane Wilcock (d.wilcock@icrf.icnet.uk) or Mr Martin Ryan (m.ryan@icrf.icnet.uk) of Imperial Cancer Research Technology. The program source code and user-manual can be downloaded from the FTDOCK homepage. Info supplied by: Henry Gabb Resources and further information Imperial Cancer Research Fund http://www.icnet.uk/index.html Biomolecular Modeling Laboratory http://bonsai.lif.icnet.uk/index.html FTDOCK homepage http://www.icnet.uk/bmm/ftdock/ftdock.html External sites are not endorsed by EMBL-EBI

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