Molecular simulations and biomembranes : from biophysics to function

Introduction & overview Methodologies and parameters for membrane simulations Atomistic simulations of lipid bilayers (simple and complex) Coarse-grained simulations of lipids bilayers Bilayers and small molecule (drug) permeability Peptides & proteins - insertion, folding Bionanotechnology and membrane simulations Potassium channels Ligand-gated ion channels G-Protein couple receptors Bacterial outer membrane proteins Transport proteins Multi-scale simulations for large systems