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 Vina is available under the Apache license.

AutoDock is one of the most cited docking software in the research community. It is a base for the FightAIDS@Home project run by World Community Grid. In February 2007, a search of the ISI Citation Index showed more than 1100 publications have been cited using the primary AutoDock method papers. As of 2009, this number surpassed 1200.

AutoDock is currently maintained by The Scripps Research Institute and Olson Laboratory.

AutoDock consists of two main programs:

AutoDock has an improved version, AutoDock Vina which has an improved local search routine and makes use of multicore/multi-CPU computer setups.

Usage of AutoDock has contributed to the discovery of several drugs, including HIV1 integrase inhibitors.

As an open source project, AutoDock has gained several third-party improved versions such as:

Compiling the application in native 64-bit mode enables faster floating-point operation of the software.

Using general programmable chips as co-processors, speedup was within the range 10x-100x the speed of standard Intel Dual Core 2Ghz CPU.

VSLAB is a VMD plug-in that allows the use of autodock directly from VMD. This program is very easy to use and allows almost anyone to dock a ligand into a protein.

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