The World Community Grid technical team just finished updating the grid-enabled AutoDock software for the FightAIDS@Home project. This update will result in faster and more accurate docking results that may ultimately help researchers identify promising treatments.

AutoDock is a free molecular modeling program maintained by The Scripps Research Institute. It simulates interactions between molecules and helps researchers to identify compounds that are likely to bind together in certain ways. For instance, researchers can identify “target sites” on key proteins within a pathogen or parasite, and then use AutoDock to scan millions of possible chemical compounds to determine which ones might bind to those target sites, disrupt the protein, and ultimately inhibit the disease process.

The new version of AutoDock includes more efficient and reliable scoring and searching capabilities, including improvements in how the program handles flexible portions of molecules. For more information about AutoDock, click here.

Thank you for continuing to support World Community Grid projects; this update will make every computing cycle go a little bit further towards our common goals.