Molecular dynamics simulation of the permeation of Me-5ALA across the lipid bilayers of the stratum corneum

<p>Input and output files for US-REST3 MD simulations of the permeation of Me-5ALA across a lipid bilayer representative of the lipid bilayers of the stratum corneum. Each folder corresponds to US-REST3 and conventional US calculations performer at different distances between the permeant and the centre of mass of the lipid bilayer.</p>