AutoDock: Difference between revisions
Jump to navigation
Jump to search
(created page with generic stub) |
No edit summary |
||
| Line 7: | Line 7: | ||
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: | ||
Revision as of 18:09, 2 April 2012
This page is a Generic stub.
You can help by expanding this page..
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:
module load autodock/autodock-4.2