Ricerc@Sapienza

Molecular dynamics (MD) simulations recently proved to be a useful tool for unveiling many aspects of pore formation in lipid membranes under the influence of external electric fields. In particular, the study of the structure and transport properties of electropores must definitely take advantage of a rigorous characterization of pore geometry and its evolution in time. In order to compare sizerelated properties of pores in bilayers of various compositions, generated and maintained under different physical and chemical conditions, reference metrics are needed.

We present here a new method for calculating the radius of a transmembrane pore in a phospholipid bilayer. To compare size-related properties of pores in bilayers of various compositions, generated and maintained under different physical and chemical conditions, reference metrics are needed. Operational metrics can be associated with some observed behavior. For example, pore size can be defined by the largest object that will pass through the length of the pore.