CCL: Can Dock6.7 predict binding site?
- From: Scott Brozell <srb,+,osc.edu>
- Subject: CCL: Can Dock6.7 predict binding site?
- Date: Fri, 26 Feb 2016 17:57:36 -0500
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?