Compound | MMGBSA-∆G-binding energy (Kcal/mol) | MMGBSA-∆G-Coulomb energy (Kcal/mol) | MMGBSA-∆GHbond (Kcal/mol) (Kcal/mol) | MMGBSA-∆G Lipophillic energy (Kcal/mol) | ∆GPacking (Kcal/mol) (Kcal/mol) | ∆Gvander waal energy (Kcal/mol) (Kcal/mol) |
---|---|---|---|---|---|---|
ASA | − 90.07 | − 33.45 | − 3.45 | − 65.52 | − 5.37 | − 66.47 |
Rifampin | − 82.88 | − 54.33 | − 4.07 | − 59.78 | − 3.88 | − 52.38 |