Welcome to DOCK Blaster, a free public facility for virtual screening!
DOCK Blaster is currently in beta test. If you are:
- working on a protein target for which a structure is available
- set up to test docking predictions experimentally
- seeking new ligands for your target and
- willing to test software that is nearly ready for public use
What is this all about? Virtual screening is also known as high throughput molecular docking or virtual high throughput screening (vHTS). Molecular docking is a method to orient and score small molecules in the binding site of a protein, with the goal of predicting both the pose and the binding affinity of the molecule for the protein. Applied to a large database, it is a computational method to screen for small molecules that may bind to the protein, and prioritize them for experimental testing.
Who would be interested in this? This website may be used by biologists and medicinal chemists to help discover small molecules that bind to proteins. Experts are welcome, but it is really designed for non-experts.
How does it work? (short version) DOCK Blaster uses DOCK 3.5.54, a version of UCSF DOCK and ZINC, a public access database for virtual screening.
A product of
BCIRC, the
Bioinfomatics and Chemical Informatics Research Center @ UCSF.
Last updated May 6, 2008. bug reports to support at docking.org;
comments to comments at docking.org; questions and
discussion to blaster-fans at docking.org.