Analysis of the flexibility and stability of the structure of magainin in a bilayer, and in aqueous and nonaqueous solutions using molecular dynamics simulations.


The precise mode of the antimicrobial activity of Magainin (Mag)-an antimicrobial peptide (AMP)-is still unclear. In this study, the conformation of Mag was characterized in water, and in a methanol and lipid bilayer [palmitoyl-oleoylphosphatidylcholine (POPC)] using a molecular dynamics (MD) simulation technique. To describe the role conformation plays in… (More)
DOI: 10.1007/s00894-015-2622-4