Drug Lead Optimization in Days Instead of Weeks

Using a leading protein docking program, Delta Search Labs, Inc. has successfully demonstrated overnight in-silico screening of a library of over 200,000 drug candidate compounds. This screening run, which was done using high-quality (slow) settings in the docking program, would have required six weeks to complete on traditional systems.

The output of the screening run was imported into the CAVE where researchers used the high resolution immersive environment to evaluate, classify and rank the candidate docks. The visualization power of the CAVE improved both the speed and the effectiveness of this human intensive process.