What is the AutoDock Suite?
The AutoDock Suite is a growing collection of methods for computational docking and virtual screening, for use in structure-based drug discovery and exploration of the basic mechanisms of biomolecular structure and function.
The original engine, AutoDock 1.0, was developed in 1990 by David Goodsell and Arthur Olson. Over the years, it has been constantly improved and modified to add new functionalities and features. In 2010 a brand new engine, AutoDock Vina, has been added to the Suite.
The latest version of the AutoDock engine is AutoDock-GPU.
Other docking tools have been developed based on the AutoDock4 docking engine, specialized to model peptide ligands and receptor flexibility, such as ADFR and ADCP.
For a timeline of the AutoDock Suite, click here.
The AutoDock Suite
This site includes several resources to assist with your docking studies:
- Several complementary DOCKING methods are available for download
- TOOLS & METHODS include graphical user interfaces, visualization tools, specialized methods, and analysis tools
- SUPPORT is provided through online materials and a user mailing list
- Links to diverse RESOURCES from the docking community are provided
The AutoDock Suite is being developed through a collaboration of four laboratories in the Center for Computational Structural Biology, under the direction of the Forli Laboratory, with support from the US National Institutes of Health