Table 3. The Van der Waal, electrostatic, polar salvation, solvent accessible surface area and binding energy in kJ mol-1 for each complex.
Drug name | Van der Waal energy | Electrostatic energy | Polar solvation energy | SASA energy | Binding energy |
---|---|---|---|---|---|
ADP | -104 ± 83 | -16 ± 20 | 75 ± 78 | -9 ± 8 | -56 ± 40 |
Trifluperidol | -179 ± 11 | -15 ± 9 | 100 ± 9 | -19 ± 1 | -114 ± 13 |
Saquinavir | -75 ± 109 | -15 ± 22 | 51 ± 94 | -8 ± 11 | -47 ± 77 |
SASA: Solvent-accessible surface area.