@inbook{1812beeeb0a343f7a229898d9fc1ba6d,
title = "Statistical thermodynamics through computer simulation to characterize phospholipid interactions in membranes",
abstract = "This chapter describes the major issues that are involved in the statistical thermodynamics of phospholipid membranes at the atomic level. The ingredients going into models of lipid bilayers are summarized: force fields, representation of long-range interactions, and boundary conditions. Next, the choice of thermodynamic ensembles, and the two main options for the generation of a representative sample of configurations: molecular dynamics and Monte Carlo are discussed. The final issue that is dealt with describes the various ways the generated ensembles can be analyzed.",
keywords = "Ewald sum, Force field, Free-energy profile, Molecular dynamics, Monte Carlo, Voronoi tesselation",
author = "Mihaly Mezei and P{\'a}l Jedlovszky",
year = "2007",
month = aug,
day = "30",
doi = "10.1385/1-59745-519-9:127",
language = "English",
isbn = "1597455199",
series = "Methods in Molecular Biology",
pages = "127--144",
editor = "Dopico, \{Alex M.\}",
booktitle = "Methods in Membrane Lipids",
}