| Compounds | Best binding energy (kcal/mol) | |
| Absence of cofactor (NADH) | Presence of cofactor (NADH) | |
| Hoslundal | −7.3 | −5.9 |
| Hoslundin | −7.8 | −6.1 |
| Hoslunddiol | −8.0 | −6.4 |
| NADH | −6.8 |
|