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. Author manuscript; available in PMC: 2017 Jan 15.

Published in final edited form as: Methods. 2015 Sep 30;93:41–50. doi: 10.1016/j.ymeth.2015.09.026

Table 3.

The success rate of binding ligand prediction on the Kahraman set.

	PL-PatchSurfer		PL-PatchSurfer (w/o H-bond)		PatchSurfer^a

	Top 1 (%)	Top 3 (%)	Top 1 (%)	Top 3 (%)	Top 1 (%)	Top 3 (%)
AMP	44.4	100.0	55.6	100.0	66.7	28.6
ATP	78.6	100.0	42.8	85.7	100.0	85.7
FAD	50.0	70.0	50.0	60.0	80.0	80.0
FMN	0.0	66.7	16.7	66.7	0.0	50.0
α-D-Glucose	40.0	60.0	40.0	60.0	40.0	100.0
HEME	68.8	87.5	68.8	93.8	87.5	100.0
NAD	66.7	80.0	13.3	80.0	6.7	80.0
PO₄	65.0	100.0	75.0	100.0	100.0	100.0
Steroids	20.0	80.0	40.0	80.0	0.0	80.0

Average	48.2	82.7	44.7	80.7	45.5	87.0

^a.

Success rates were recalculated from Figure 5 of [28].