DOCK Blaster: Difference between revisions

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This is a stub for DOCK Blaster.
DOCK Blaster is a free web based molecular docking and virtual screening service, on the web at [http://blaster.docking.org].


DOCK Blaster is a free docking service. You can:
To get started, you will need the structure of the target in PDB format, and some specification of the binding site. Currently, we support one of two forms: * a) a docked ligand, which is used both as a control and indication of where to dock, in mol2 format. If you don't have a docked ligand, don't worry, you can also specify:
* b) residues making up the binding site, in PDB format. The center of interia of these atoms should be about the same place that the center of a docked molecule would be.


* Use DOCK Blaster to suggest new ligands to purchase and test as inhibitors against a target.
That's really all you need to have to get started. If you don't have a particular project in mind, you may use some [[DOCK Blaster::Sample_Data Sample Data]] to experiment with. To read more, please consult the topics below.
* Download ZINC, our free, dockable database of commerically- available compounds and use it with your own software.
* Browse our Top Hits Collection (THC) of pre-computed docking results against the PDB and MODBASE.
* Explore tutorial examples illustrating the use of many features
* Make a comment, report a bug, or suggest a feature.
* Request a local copy of DOCK3.5.5.4 and DOCK Blaster.
* Join the growing user community of DOCK Blaster enthusiasts.
* Register as an alpha- or beta-test user of this service.


[[DOCK Blaster:Prepare Input]]
* [[DOCK Blaster:Prepare Input]]
* [[DOCK Blaster:Prepare Receptor]]
** [[DOCK Blaster:Prepare Receptor]]
* [[DOCK Blaster:Prepare Ligand]]
** [[DOCK Blaster:Prepare Ligand]]
* [[DOCK Blaster:Prepare Cofactor]]
** [[DOCK Blaster:Other Input Options]]
* [[DOCK Blaster:Other input options]]
** [[DOCK Blaster:Input Troubleshooting]]
* [[DOCK Blaster:Input Troubleshooting]]
**  [[DOCK Blaster:Job Management]]
[[DOCK Blaster:Job Management]]
* [[DOCK Blaster:Results]]
[[DOCK Blaster:Results Browser]]
** [[DOCK Blaster:Initial Evaluation]]
[[DOCK Blaster:Test Compounds]]
** [[DOCK Blaster:Results Browser]]
[[DOCK Blaster:Advanced Troubleshooting]]
** [[DOCK Blaster:Large Database Docking]]
[[DOCK Blaster:Philosophy]]
** [[DOCK Blaster:Custom Database]]
[[DOCK Blaster:Dead End?]]
** [[DOCK Blaster:Test Compounds]]
 
* [[DOCK Blaster:Philosophy]]
* [[DOCK Blaster:Annotations]]
 
We welcome your feedback about DOCK Blaster. Please write to us at comments at docking.org.

Revision as of 21:22, 26 October 2006

DOCK Blaster is a free web based molecular docking and virtual screening service, on the web at [1].

To get started, you will need the structure of the target in PDB format, and some specification of the binding site. Currently, we support one of two forms: * a) a docked ligand, which is used both as a control and indication of where to dock, in mol2 format. If you don't have a docked ligand, don't worry, you can also specify:

  • b) residues making up the binding site, in PDB format. The center of interia of these atoms should be about the same place that the center of a docked molecule would be.

That's really all you need to have to get started. If you don't have a particular project in mind, you may use some DOCK Blaster::Sample_Data Sample Data to experiment with. To read more, please consult the topics below.

We welcome your feedback about DOCK Blaster. Please write to us at comments at docking.org.

Retrieved from "http://wiki.docking.org/index.php?title=DOCK_Blaster&oldid=665"