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What's the best way to analyze the results?

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This FAQ applies to: AutoDock 3, AutoDock 4

After the virtual screening is finished, what's the best way to look at the results?

One way is to sort the compounds by lowest energy first. An alternative is to sort the compounds by the lowest energy in the largest cluster (typically clustering using an RMSD tolerance of 2 Angstroms).

Follow up the sorting by using ADT to inspect visually the chemical complementarity of the binding modes.

by morris last modified 2007-07-19 18:13
Contributors: Ruth Huey

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