AutoDockTools- 4.2.3 for Mac could be downloaded from the developer's website when we last checked. We cannot confirm if there is a free download of this app available. The default filename for the program's installer is autodocksuite-4.2.3-univer.gz.
We recommend checking the downloaded files with any free antivirus. The application is categorized as Education Tools. The following version: 4.2 is the most frequently downloaded one by the program users. This free software for Mac OS X was originally developed by The Scripps Research Institute.
From the developer:
AutoDockTools is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
AutoDock actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids.
You may want to check out more software for Mac, such as Gee, Arcade Math Blocks or NLVM, which might be similar to AutoDockTools-.