[PDF] Molecular simulations and biomembranes : from biophysics to function Mark Sansom; Phillip Biggin

Content: 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