Make docking as easy to use as BLAST by lowering the barriers to entry for molecular docking

Molecular docking is the most pragmatic approach to use protein structures for ligand discovery. Notwithstanding numerous successes, the technique remains difficult to use for novices and is tricky even for experts. DOCK Blaster is our attempt to lower the barriers to using molecular docking.

In 2018 we broke ground on a new version of DOCK Blaster, Blaster18, which aims to address weaknesses in our first implementation, Blaster9.

Blaster18 is powered by UCSF DOCK 3.7 and ZINC15.

We are currently testing Blaster18. In the meantime, the previous versions are:

Ligand based tools

We develop and maintain ZINC, a database of commercially available and annotated compounds for virtual screening, ligand discovery, and systems pharmacology.

ZINC allows you to answer questions such as:

We are currently working on a major new version, ZINC 15, that offers many new tools for finding bioactive compounds for targets.

The new version of ZINC allows new questions such as:

Aggregator advisor

Aggregator advisor answers the question: Is my compound previously reported to aggregate, or is it similar to one that is known to aggregate?

Other Research topics

These are questions we are currently working on, using SEA, ZINC and other tools.