DOCK Blaster:Prepare Input: Difference between revisions
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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:
- 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)