Figure 2. Radius of gyration Rg (Å) plots from molecular dynamics simulations for D-Arg-PEP and L-Arg-PEP comparing the protected termini with the non-protected termini for the peptides.

For the protected peptides (neutral termini), the N-terminus nitrogen is acetylated and the C-terminus is protected as the N-methyl amide. The non-protected peptides were modeled in their charged state (charged termini for pH 7.5).