Optimal Hydrophobicity and Reorientation of Amphiphilic Peptides Translocating Through Membrane

Cell-penetrating and some antimicrobial peptides can translocate across lipid bilayers without disrupting the membrane structure. However, the molecular properties required for efficient translocation are not fully understood. We employed Metropolis Monte Carlo method together with coarse-grained models to systematically investigate free energy landscapes associated with the translocation of secondary amphiphilic peptides. We studied α-helical peptides with different length, amphiphilicity, and distribution of hydrophobic content and found common translocation path consisting of adsorption, tilting, and insertion.

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