Dr Mario Orsi 'Molecular dynamics simulations of lipid membranes'
Date: Fri 30 Mar 2012, 11:00 - 12:00
Location: SEMS Seminar Room
Dr Mario Orsi, School of Chemistry, University of Southampton
Lipid membranes are interfacial systems employed by living organisms to encapsulate cells and organelles, transmit information, transport molecules, and store energy. Lipid membranes also have many industrial applications, for example in the areas of drug design and targeted delivery, nanotechnology, and biofuel production. This talk will focus on particle-based simulations of membrane systems using the molecular dynamics method. A new simplified (“coarse-grain”) model will be presented, together with its application in multiscale modelling. It will be shown how simulation data from discrete particles can be used to predict fundamental properties such as mechanical stress and electrostatic potential, which play crucial roles in a wide range of biophysical phenomena. This presentation will also offer a molecular-level view of a number of complex processes, including the self-assembly of lamellar and inverse lipid phases, the transmembrane permeation of drugs, and the action mechanism of antibacterial molecules.