. 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 3.

Results from Five Docking Experiments of Fragment (MBD) Docking

PDB ID	RMSD^a (Rank)
3C6S	1.97 (10)	1.93 (19)	1.8 (10)	2.0 (8)	−^b
3TV3	1.28 (9)	0.37 (8)	−	−	−

RMSD (Å) value of the lowest ranked acceptable pose.

Inability to generate an acceptable pose indicated by “−”.