… Change in binding free energy predicted by computational mutagenesis of the S-RBD
CoV-2 residues N487 (A), Y489 (B), and Y505 (C) for the corresponding ACE2/S-RBD CoV-2 …

… of mutation and for single point mutation we … mutation which can be essential to locate
mutations. This study helps us to identify the significant mutations in the proteins of SARS-CoV-2 …

… binding affinity of SARS-CoV-2 Delta and Omicron variants with ACE2 by using a variety of
computational tools to … The mutation changes of SARS-CoV-2 were predicted using varsite. …

… computational mutagenesis to analyze the effects of missense mutations on the stability
and protein-protein interactions of SARS-CoV-1. … design therapeutic drugs against SARS-CoV-1. …

… in this pocket through computational mutagenesis. Thus, … computational mutagenesis
analyses demonstrate the importance of HIS163 and its role in ligand engagement in SARS-CoV-2 …

… Here we present our results of alanine scanning mutagenesis of SARS-CoV and SARS-CoV-2
S RBD complexed with ACE2 using thermodynamic integration (TI). (21) The hot spot …

… Even with the availability of vaccines, therapeutic options for COVID-19 still remain highly …
neutralizes SARS CoV-2 infection by acting as a decoy. Using computational mutagenesis, we …

… Furthermore, the experimentally identified residue N214 is signposted by these calculations:
its computational mutation generates the largest fluctuation free energy change upon spring …

… computational decomposition of the RBD–ACE2 interface can identify residues on the RBD
that are critical for virus–host interactions across different SARS-CoV-2 … two sites of mutation …

… a comprehensive computational investigation of … mutagenesis analysis reported here
will guide further experimental studies of Ab resistance and identification of natural SARS-CoV-2 …