Analysis of the accumulated MD ensemble revealed variations in conformational mobility in both sets of mutant peptides compared to the parent ones. The average pairwise root-mean-square deviation (RMSD) values for the backbone atoms of peptides in set 1 and set 2 ranged from 0.9-1.4 and 1.0-1.2 Å, respectively (Table , Supporting Information). In our previous study , as compared to higher hemolytic parent peptide p1 (average RMSD value is 1.0 Å), we observed higher flexibility for less hemolytic parent peptide p3 (average RMSD value is 1.2 Å).