Objectives
This project is focused on the study of the interactions of nano-objects and biosurfactants with lipid bilayers using continuum theory and atomistic and coarse-grained molecular dynamics simulations.
- Equilibrium state of stratum corneum (SC) lipid bilayers in contact with keratin corneocytes;
- Interaction of nanoparticles and proteins with SC lipid bilayers;
- Understanding the role of strongly-asymmetric ceramides in the structure and integrity of SC bilayers.
Tasks and methodology
- Modelling of strongly-asymmetric ceramide-1;
- Effects of adsorption of nanorods and nanospheres on lipid bilayers;
- Behaviour of Janus and patchy spheres and rod-coil diblock copolymers;
- Computational methods for determining elastic properties of functionalised bilayers.
