AutoDock is a molecular modeling simulation software.

AutoDock is a molecular modeling simulation software. Since 2009, it has been open source and is free for non-commercial usage. It is especially effective for Protein-ligand docking

AutoDock is one of the mostly 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 for docking of the ligand to a set of grids describing the target protein;
* AutoGrid for pre-calculating these grids.

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

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

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

• GPU improved calculation routines
• SSE improved calculation routines
• Integration within bigger projects: OFF-TARGET PIPELINE http://personalpages.manchester.ac.uk/postgrad/Thomas.Evangelidis/ug/Intro.html

Instructions on how to download ADT & AutoDock.

ADT, AutoDock 3, AutoDock 4 and AutoDock Vina are distributed under different licenses, so for:

AutoDock 4.2			Please fill out this registration form or proceed to download page.
ADT			Please follow these instructions.
AutoDock Vina			Please see this announcement.
PyRx			Virtual Screening software for Computer-Aided Drug Design.
Raccoon			Graphical interface for preparing AutoDock virtual screenings.
AutoDock 4.0			Please fill out this registration form.
AutoDock 3			Please follow these instructions.

Don't forget to download the latest version of ADT (version 1.4.5 or higher is recommended for AutoDock 4). This graphical user interface will really help you set up and analyse your dockings.

• Check out the Frequently Asked Questions, How-tos and Tutorials to help you get started.

AutoDock Vina is a new open-source program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy and ease of use.[1] AutoDock Vina has been designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab at The Scripps Research Institute.

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