Conclusion: While mutations
Q493R,
R408I,
Q493H,
P384S, and
N501T can also be disruptive, but mutations
N439K,
V367F, and
S477R are not as disruptive as other rapidly growing ones.
Result: Moreover, mutations
V367F,
E484K,
N354D, and
S373L with positive BFE changes also have a relatively higher mutation rate since early 2021, indicating that these four mutations may strengthen the binding of ACE2 and the
S protein
RBD, and potentially increase the infectivity of SARS-CoV-2.
Conclusion: Two mutants,
V367F and
N354D/
D364Y, were predicted to have significantly higher binding affinities, and the prediction was validated by experiment and the virus epidemiology.|
Result: The simulation results suggested that all the three mutants (
N354D/
D364Y,
V367F and
W436R) can enhance the binding between
spike RBD and hACE2, which agrees with the experiment.
Result: Two of these three mutants,
N354D/
D364Y and
V367F, have drawn extensive attention as they showed up in multiple countries, indicating its enhanced binding affinity in the real world.