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How do I know which docking results are "hits"?

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This FAQ applies to: AutoDock 3, AutoDock 4

Which docking results should I consider as likely to bind well to my target?

When the results are sorted by lowest energy found for each compound, the compounds that bind as well as your positive control or better can be considered as potential hits. Remember to allow for the roughly 2.5 Kcal/mol standard error in the AutoDock scoring function. If you do not have a positive control, consider the compounds with the lowest energies as potential hits.

Note: You may also want to consider the lowest energy in the most populated cluster in your docking results, instead of the lowest energy found for all the dockings of a given compound.

by morris last modified 2007-07-19 18:06
Contributors: Ruth Huey

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