Table 2.
Average forces on the atoms of the investigated structures after the optimization step.
| PDB ID | Average force on the atoms of the spike–ACE2 complex | Average force on the atoms of the spike protein structure | Average force on the atoms of the ACE2 molecule |
|---|---|---|---|
| 6M0J | 0.009 eV/Å | 0.008 eV/Å | 0.010 eV/Å |
| 7MJN | 0.007 eV/Å | 0.007 eV/Å | 0.012 eV/Å |
| 7LO4 | 0.009 eV/Å | 0.011 eV/Å | 0.009 eV/Å |
| 7NXC | 0.012 eV/Å | 0.014 eV/Å | 0.012 eV/Å |
| 7EDJ | 0.006 eV/Å | 0.008 eV/Å | 0.008 eV/Å |