AutoDock
From Wikipedia, the free encyclopedia
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.[1] 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.[2] 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; 35 years ago (1989) |
Stable release | 4.2.6 (AutoDock), 1.2.0 (AutoDock Vina)
/ 2014; 10 years ago (2014) (AutoDock), 2021; 3 years ago (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.[3] 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[4][5]
AutoDock is widely used and played a role in the development of the first clinically approved HIV-1 integrase inhibitor by Merck & Co.[6][7]