Difference between revisions of "DOCK Blaster:Prepare Input"

From DISI
Jump to navigation Jump to search
 
Line 1: Line 1:
 
This is the guide of how to prepare input for DOCK Blaster.
 
This is the guide of how to prepare input for DOCK Blaster.
  
[[DOCK Blaster]]
+
== Quick Overview ==
 +
*1. Specify a target (PDB format).
 +
*2. Identify the binding site with a ligand or residues that form the site.
 +
*3. Select a database to dock.
 +
*4. Supply any positive controls (actives) you may have.
 +
*5. Supply any negative controls (experimental decoys) you may have.
 +
*6. Agree to the terms and click "I agree, DOCK!"
 +
 
 +
== Sample Data ==
 +
Sample data are available
 +
* DUD
 +
* Gold test set
 +
* other test sets
 +
* you can also generate your own sample decoy data
 +
 
 +
== FAQ ==
 +
 
 +
 
 +
== Credits ==
 +
 
 +
 
 +
See also:
 +
 
 +
* [[DOCK Blaster:Prepare Receptor]] - detailed information about the receptor site specification
 +
* [[DOCK Blaster:Prepare Ligand]] - detailed information about how to specify the binding site
 +
* [[DOCK Blaster:Prepare Cofactor]] - detailed information of how to specifiy a co factor
 +
* [[DOCK Blaster:Other input options]] - expert options.
 +
* [[DOCK Blaster:Input Troubleshooting]]
 +
 
 +
and the DOCK Blaster main page [[DOCK Blaster]].
 +
 
 +
 
 +
== THC ==
 +
Each successful run of DOCK Blaster creates output in the Top Hits Collection (THC)

Revision as of 19:48, 24 October 2006

This is the guide of how to prepare input for DOCK Blaster.

Quick Overview

  • 1. Specify a target (PDB format).
  • 2. Identify the binding site with a ligand or residues that form the site.
  • 3. Select a database to dock.
  • 4. Supply any positive controls (actives) you may have.
  • 5. Supply any negative controls (experimental decoys) you may have.
  • 6. Agree to the terms and click "I agree, DOCK!"

Sample Data

Sample data are available

  • DUD
  • Gold test set
  • other test sets
  • you can also generate your own sample decoy data

FAQ

Credits

See also:

and the DOCK Blaster main page DOCK Blaster.


THC

Each successful run of DOCK Blaster creates output in the Top Hits Collection (THC)