AutoDock - Revision history

Tanthony@uab.edu: added category crystallography

2012-04-04T15:04:11Z

added category crystallography

← Older revision		Revision as of 15:04, 4 April 2012
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	</pre>		</pre>

	[[Category:Software]]		[[Category:Software]][[Category:Crystallography]]

Tanthony@uab.edu: added category software

2012-04-04T13:45:15Z

added category software

← Older revision		Revision as of 13:45, 4 April 2012
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	module load autodock/autodock-4.2		module load autodock/autodock-4.2
	</pre>		</pre>

			[[Category:Software]]

Tanthony@uab.edu at 19:42, 2 April 2012

2012-04-02T19:42:35Z

← Older revision		Revision as of 19:42, 2 April 2012
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	'''Project website:''' http://autodock.scripps.edu/		'''Project website:''' http://autodock.scripps.edu/

			====Load SGE module====
	The following Modules file should be loaded for this package:		The following Modules file should be loaded for this package:
	<pre>		<pre>
	module load autodock/autodock-4.2		module load autodock/autodock-4.2
	</pre>		</pre>

Tanthony@uab.edu at 18:09, 2 April 2012

2012-04-02T18:09:23Z

← Older revision		Revision as of 18:09, 2 April 2012
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	In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.		In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.

	Project website: http://autodock.scripps.edu/		'''Project website:''' http://autodock.scripps.edu/

	The following Modules file should be loaded for this package:		The following Modules file should be loaded for this package:

Tanthony@uab.edu: created page with generic stub

2012-04-02T18:07:40Z

created page with generic stub

New page

{{Generic_stub}}

[http://autodock.scripps.edu/ AutoDock] 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 4 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.

In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.

Project website: http://autodock.scripps.edu/

The following Modules file should be loaded for this package:
<pre>
module load autodock/autodock-4.2
</pre>