Table 3 MMPBSA calculations of the simulated complex
S.No | Energies | Amphotericin B AMPH |
|---|---|---|
1 | Vander Waals \({\Delta G}_{vdw}\) | −33.05 |
2 | Surface \({\Delta G}_{SURF}\) | −3.124 |
3 | Solvation \({\Delta G}_{SOLV}\) | 7.22 |
4 | Gaseous \({\Delta G}_{GAS}\) | −33.05 |
5 | Total binding energy \({\Delta G}_{binding}\) | −25.84 |