Article ID: 581 - Last Modified: December 16, 2010
I used Glide XP to evaluate a crystal structure drug binding orientation. Why are the results reporting only one pose?
By default, Glide docking reports one pose per input ligand. To generate multiple poses per ligand, there is an option on the Output tab for increasing the number of reported poses.
Glide can return fewer poses than requested because its purpose is to find good poses, not an arbitrary number of poses. Glide XP in particular often returns only a few poses even if more are requested, because only poses within an energy window of the best pose are considered for final processing.
Keywords: XP output, reported poses, docking results, Glide
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