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Open-source software program helps power 30 years of progress in computational research
14 Sep 2020   

Summary

AutoDock, the software program that powers OpenPandemics and other World Community Grid projects, was created 30 years ago at Scripps Research. Learn more about this powerful software in this article and the attached, recently-published research paper.


The image above, generated with the Python Molecular Viewer, shows the result of a molecular docking simulation performed with AutoDock.

Computational scientific research was a different field a few decades ago, largely due to the limits of storage space and computer infrastructure. But as the searches for new and better treatments for diseases such as AIDS became more urgent, scientists at Scripps Research created the first version of AutoDock in the early 1990s.

Today, AutoDock has been used in numerous scientific studies at institutions and pharmaceutical companies all over the globe, including in World Community Grid’s FightAIDS@Home and OpenPandemics – COVID-19 projects. While these projects both focus on finding treatments for AIDS and COVID-19, respectively, AutoDock has also been used in studies on drug design methodology (or how to design treatments). 

AutoDock has been refined and improved over the past three decades. Many of these changes are described in an invited paper about the history and evolution of AutoDock in the journal Protein Science. You can read the full article here.

Thank you to all volunteers who have supported FightAIDS@Home, OpenPandemics – COVID-19, and other projects searching for new and better treatments.




Research Paper