2.7. Mutation effect analysis
Mutation effect analysis was performed using
DynaMut.43 To compute the stability of SARS-CoV-2
wild-type (WT) and mutated (mutant) proteins, the reference structures
were retrieved from the RCSB database (https://www.rcsb.org/),
with the following IDs: 7CMD (Nsp3); 6M2Q (Nsp5); 6M71 (RdRp); 6VXX
(Spike) and were then uploaded to the DynaMut server
(https://biosig.lab.uq.edu.au/dynamut/). At specific site, a point
mutation was inserted. The effect in the form of total energies and
vibrational entropy energies between wild-type and mutated proteins was
recorded.