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To get started with structure based ligand discovery using DOCK Blaster you need the structure of the target for which you want to find ligands. We provide the database of purchasable small molecules ( ZINC ) and the docking program ( DOCK 3.6 ) that fits those molecules into the binding site and calculates a score for each one. DOCK Blaster will dock and score each molecule against your target and provide you with a ranked list which you may review and prioritize for purchase and testing. Although you should always be skeptical, we will also try to tell you whether you should invest in the results or not.

Molecular Docking

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Good docking!
A product of BCIRC, the Bioinfomatics and Chemical Informatics Research Center @ UCSF. Last updated Aug 13, 2013. Please direct correspondence as follows: questions and discussion to blaster-fans at docking.org; bug reports to support at docking.org; any other correspondence to comments at docking.org. We thank NIGMS for fiancial support GM71896 and GM59957 Terms of use. Privacy policy.