AutoDock
AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU General Public License. AutoDock is one of the most cited docking software applications in the research community. It is used by the FightAIDS@Home and OpenPandemics - COVID-19 projects run at World Community Grid, to search for antivirals against HIV/AIDS and COVID-19. In February 2007, a search of the ISI Citation Index showed more than 1,100 publications had been cited using the primary AutoDock method papers. As of 2009, this number surpassed 1,200.
| Developer(s) | Scripps Research |
|---|---|
| Initial release | 1989 |
| Stable release | 4.2.6 (AutoDock), 1.2.0 (AutoDock Vina)
/ 2014 (AutoDock), 2021 (AutoDock Vina) |
| Written in | C++, C |
| Operating system | Linux, Mac OS X, SGI IRIX, and Microsoft Windows |
| Platform | Many |
| Available in | English |
| Type | Protein–ligand docking |
| License | GPL (AutoDock), Apache License (AutoDock Vina) |
| Website | autodock |
AutoDock Vina is a successor of AutoDock, significantly improved in terms of accuracy and performance. It is available under the Apache license.
Both AutoDock and Vina are currently maintained by Scripps Research, specifically the Center for Computational Structural Biology (CCSB) led by Dr. Arthur J. Olson
AutoDock is widely used and played a role in the development of the first clinically approved HIV-1 integrase inhibitor by Merck & Co.