. Author manuscript; available in PMC: 2021 Aug 7.

Published in final edited form as: J Mol Biol. 2020 Jul 9;432(17):4872–4890. doi: 10.1016/j.jmb.2020.07.003

Table 2.

RVS results of EF_1% on five Class A GPCRs in DUD-E Dataset. Values outside (and inside) parentheses are the results for MAGELLAN with (and without) homology constraint cutoffs. Data for PoLi was taken from Roy et al. [5] and data for FINDSITECcomb2.0 (FSc2.0) was downloaded from the authors’ webserver.

Gene	UniProt ID	MAGELLAN	PoLi	FSc2.0	AutoDock	AutoDock Refined	Dock6
AA2AR	P29274	0.95 (39.03)	1.2	0	1.42	4.03	2.86
ADRB1	P07700	5.47 (36.11)	2.0	3.24	0.66	0.88	2.63
ADRB2	P07550	13.68 (34.75)	2.6	5.20	2.69	0.90	1.35
CXCR4	P61073	0 (23.97)	0	2.53	0	0	2.49
DRD3	P35462	28.65 (39.27)	5.2	3.54	2.64	1.37	1.26
Average		9.75 (34.63)	2.2	2.90	1.48	1.44	2.12