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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.

Official Homepage

Users Manual
License Agreement and Citation Format
License Agreement

Citation Format 
For AutoDock
Morris, G. M., Goodsell, D. S., Halliday, R.S., Huey, R., Hart, W. E., Belew, R. K. and Olson, A. J. (1998), Automated Docking Using a Lamarckian Genetic Algorithm and and Empirical Binding Free Energy Function J. Computational Chemistry, 19: 1639-1662.

For AutoDock Scoring Function
Huey, R., Morris, G. M., Olson, A. J. and Goodsell, D. S. (2007), A Semiempirical Free Energy Force Field with Charge-Based Desolvation J. Computational Chemistry, 28: 1145-1152.

How to Access the Program 
Servers Versions Paths Parallelization Methods
Aurora 4.2.3 /apps/AutoDock/4.2.3  
Using the Program
Additional Notes

Last Updated - 4th Oct 2011
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