Table 4.
MMPBSA free binding energy of selected compounds.
| S. No | Complex | VDW | EEL | EPB | ENPOLAR | EDIPER | ΔPBSA |
|---|---|---|---|---|---|---|---|
| 1 | Reference | − 29.1030 | − 1.2460 | 15.3688 | − 17.9212 | 34.7609 | − 9.8027 |
| 2 | 5459840 | − 29.6634 | 39.2518 | − 11.9422 | − 18.7723 | 32.7110 | − 11.5849 |
| 3 | ZINC47009207 | − 43.4243 | − 2.5194 | 16.7161 | − 23.7484 | 43.3213 | − 10.6547 |
| 4 | Sa32 | − 34.0802 | − 140.0321 | 132.3842 | − 24.8220 | 42.4582 | − 24.0920 |
| 5 | SANC00347 | − 35.0421 | − 3.3731 | 15.7086 | − 21.1103 | 37.0142 | − 7.8595 |