Result: From an energetical point of view, the P.1 Japan/Brazil VoC, showing the three mutations
N501Y_
E484K_
K417T at the
RBD, has the highest binding affinity (- 21.37 kcal/mol or - 89.41 kJ/mol; Table 1) for ACE2 (increased of 4% with respect to the Wuhan
spike RBD, - 20.51 kcal/mol or - 85.81 kJ/mol, Table 1), followed by the B.1.141-VoC showing the single
N439K amino acid replacement at the
RBD and the single mutant
E484K firstly detected in the
spike RBD of the P.1 Japan/Brazil VoC (Table 1).