. Author manuscript; available in PMC: 2018 Jul 31.

Published in final edited form as: J Chem Inf Model. 2018 Mar 9;58(3):605–614. doi: 10.1021/acs.jcim.7b00588

Table 4.

Differences between Docking Scores and RMSD Values for Best and Worst Poses Ranked from Smallest RMSD Difference to Largest

PDB ID	Difference in interaction energy^a	RMSD difference^b
1M7D	0.51	1.47
1MFB	0.31	1.91
1OP3	0.19	2.75
1MFA	0.25	4.52
1S3K	0.05	4.54
1UZ8	1.13	4.74
1CLY	0.39	4.75
1M7I	1.09	10.52
3C6S	0.40	11.59
3TV3	0.20	21.52

In kcal/mol.

In angstrom.