. Author manuscript; available in PMC: 2021 Feb 15.

Published in final edited form as: J Chem Theory Comput. 2020 Oct 23;16(11):7173–7183. doi: 10.1021/acs.jctc.0c00798

Table 2:

The success rate of various docking models^a

	LigandRNA¹⁷	Drugscore^{RNA 18,19}	DOCK6²⁰	ligandRNA+DOCK6¹⁷	RLDOCK
top 1^b	39.5%(35.7%)	28.9%(31.0%)	36.8%(35.7%)	50.0%(47.6%)	55.3%(40.4%)
top 3^c	47.4%(45.2%)	39.5%(42.9%)	44.7%(42.9%)	57.9%(47.6%)	60.5% (57.8%)

the percentage without parenthesis is calculated for the 38 RNA-ligand cases in Ref. (17). the value with parenthesis is calculated for the 42 test cases in Ref. (17) and the 230 complexes in the present study.

the success rate of the top-ranked poses.

the success rate (measured by the best RMSD) of the three top-ranked poses. the best results are indicated in bold.