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. 2022 Aug 11;8(8):e10128. doi: 10.1016/j.heliyon.2022.e10128

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