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Article ID: 662 - Last Modified: May 16, 2011

At times, I get no docking results when using SP but get some good-looking poses when running XP. Why does this happen?

XP has has stricter penalties than SP, but it also has more thorough sampling. Hence XP might yield poses where SP does not. If SP is having trouble finding good poses (perhaps because of clashes with the receptor), widening the funnel might help ("Advanced Settings" on the Settings tab). If SP is producing high-energy poses that are being filtered out or are proving problematic for post-docking minimization, increasing the Coulomb-van der Waals cutoff and turning off post-docking minimization might help generate some SP poses.

Keywords: SP docking , XP docking, good poses, Glide

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