Welcome to DOCK Blaster 1.0 β, a public access service
for
structure-based ligand discovery.
DOCK Blaster aims to answer the following question:
What small molecules should I purchase and test for activity against
my biological target, for which I have a structure?
DOCK Blaster is provided by the Shoichet Laboratory in the
Department of Pharmaceutical Chemistry at the
University of California, San Francisco (UCSF).
To cite DOCK Blaster, please reference Irwin et al., manuscript in
preparation.
The normal place to start is
here.
To skip ahead, try the
tutorials
which illustrate by example some common applications.
To back up to the bigger picture, try
this.
Or try one of these links:
- Get started
- DOCK and ZINC
- BCIRC
- Shoichet Laboratory
- UCSF Pharmaceutical Chemistry
- Acknowledgements
- How much is DOCK Blaster used?
Keywords: UCSF DOCK, DOCK 3.5.54,
ligand discovery, computational chemistry, computer aided drug design,
moleculuar docking, black box docking, Irwin, Shoichet,
Kuntz, docking screens, target based virual screening.