Comparative molecular dynamics simulations of the antimicrobial peptide CM15 in model lipid bilayers

►We report over 3-μs MD simulations of CM15 with POPC and POPG:POPC. ►CM15 binds and inserts into both bilayers despite its non-hemolytic nature. ►CM15 folding is faster in POPC than POPG:POPC. ►Peptide initial conformation affects simulation results on 100-ns timescale.