What is the difference between the docking score and GlideScore from the results of a docking run?

The docking score and the GlideScore normally are the same unless you include Epik state penalties in the scoring (the recommended and default behavior), which are applied only to the docking score.

In addition, there are some docking post-processing programs that can modify the docking score, but not the GlideScore. The first is the MacroModel-based strain_rescore.py script from the Script Center. The strain penalties are applied to the docking scores but, unlike the similar Apply strain correction terms feature in Glide itself, not to the GlideScores. Second, the utility glide_rescore can also modify the docking scores.

Keywords: Glide

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