Statistical thermodynamics of biomembranes
An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-range interactions. This is followed by a description of the various ways that the simulated ensembles can be analyzed: area of the lipid, mass density profiles, radial distribution functions (RDFs), water orientation profile, deuterium order parameter, free energy profiles and void (pore) formation; with particular focus on the results obtained from our recent molecular dynamic (MD) simulations of phospholipids interacting with dimethylsulfoxide (Me(2)SO), a commonly used cryoprotective agent (CPA).
Publication Source (Journal or Book title)
Devireddy, R. V. (2010). Statistical thermodynamics of biomembranes. Cryobiology, 60 (1), 80-90. https://doi.org/10.1016/j.cryobiol.2009.05.001