CCL: Can Dock6.7 predict binding site?



 Sent to CCL by: Scott Brozell [srb^osc.edu]
 Hi,
 Short answers to your questions are
 1.  you identified the binding region(s); this could have been a single
 specific site or the whole receptor; see this tutorial for the recipe:
 http://dock.compbio.ucsf.edu/DOCK_6/tutorials/sphere_generation/generating_spheres.htm
 2.  Dock can be used to predict binding sites, but that is not its main
 intended purpose nor a particular strength.
 3.  Dock's main focus is receptor-ligand complexes.  Novel uses have been
 made in the past.
 For some more detail about binding site selection,
 see the response on the Dock mailing list:
 http://mailman.docking.org/pipermail/dock-fans/2016-February/003150.html
 For an overview of Dock, see
 http://dock.compbio.ucsf.edu/Overview_of_DOCK/index.htm
 scott
 On Thu, Feb 25, 2016 at 02:31:12AM -0500, Syeda Sumayya Tariq
 sumayyatariq7**gmail. com wrote:
 >
 > I have recently started working with Dock6.7 and have a little query.
 > The issue is I have used Dock6.7 to dock a receptor protein with a small
 > molecule I retrieved from a database. The receptor site where docking
 > occurred shows some of the residues SAME as were predicted CPORT which is
 > responsible for predicting active residues.
 > My question is how did Dock identify the binding site? Is it by chance or
 > is Dock able to predict binding site also? Is it true that Dock can only
 > work with a receptor-ligand complex?