Docking score | Glide energy (kcal/mol) | Hydrogen bonding interactions | ||
---|---|---|---|---|
Donor | Acceptor | Distance (Ã…) | ||
MBDC | ||||
 −10.823 | −49.845 | N–H[GLY1032] | O | 2.91 |
O–H[SER1068] | O | 3.17 | ||
Warfarin | ||||
 −10.625 | −55.759 | NH[Tyr1060] | O | 2.0 |
NH[Gly1032] | O | 2.1 | ||
OH | O[Gly1032] | 2.0 | ||
OH | N[His 1031] | 3.7 | ||
N[His1031] | O | 3.3 | ||
O[His1048] | O | 3.5 |