Statistical thermodynamics of biomembranes

Authors

Ram V. Devireddy, Department of Mechanical Engineering, Louisiana State University, 2508 Patrick F. Taylor Hall, Baton Rouge, LA 70803, USA. devireddy@me.lsu.edu

Document Type

Article

Publication Date

2-1-2010

Abstract

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)

Cryobiology

First Page

80

Last Page

90

Recommended Citation

Devireddy, R. V. (2010). Statistical thermodynamics of biomembranes. Cryobiology, 60 (1), 80-90. https://doi.org/10.1016/j.cryobiol.2009.05.001