Table 4.
Computed average values of Total Energy (E), Potential Energy (EP), Temperature (T), Pressure (P), and Volume (V) properties for the EGFR protein systems examined.
| EGFR uncomplexed | EGFR-C11 | EGFR-T15 | EGFR-Tam | EGFR-Erlo | |
|---|---|---|---|---|---|
| Total energy (kcal/mol) | −141829.047 | −141737.555 | −141819.536 | −141574.711 | −141737.842 |
| Potential energy (kcal/mol) | −172395.959 | −172369.700 | −172428.177 | −172173.428 | −172326.123 |
| Temperature (K) | 298.690 | 298.687 | 298.695 | 298.679 | 298.693 |
| Pressure (bar) | 1.356 | 1.269 | 1.562 | 0.974 | 1.031 |
| Volume (Å3) | 505443.948 | 506482.028 | 506029.727 | 505868.647 | 505560.214 |