TY - JOUR
T1 - Monte Carlo simulations of membranes
T2 - Phase transition of small unilamellar dipalmitoylphosphatidylcholine vesicles
AU - Sugár, István P.
AU - Biltonen, Rodney L.
AU - Mitchard, Neil
PY - 1994/1/1
Y1 - 1994/1/1
N2 - Monte Carlo (MC) methods have proved to be useful with model membrane systems, making it possible to simulate the fluctuating membrane conformations and calculate membrane properties and relate them to experimental observables. Correlations between particular conformational properties and complex membrane functions would aid in the interpretation of the functions and provide the basis for further experimental work. In any case, quantitative agreement between calculation and experiment is essential. This chapter describes a simple model for the gel-to-liquid crystalline transition of lipid bilayers. Bilayer membranes composed of a single lipid undergo a gel-to-liquid crystalline transition at a temperature defined by the chemical nature of the lipid, the degree of hydration, and basic structure of the membrane. This transition has been described extensively for bilayer membranes made of dipalmitoylphosphatidylcholine (DPPC). The approach is to introduce as much experimental information as possible into the calculation, assume values for a minimal number of additional parameters, and then test the results quantitatively with experimental data. The chapter reviews other MC simulations of one- and two-component membrane systems and discusses the computational methods applied.
AB - Monte Carlo (MC) methods have proved to be useful with model membrane systems, making it possible to simulate the fluctuating membrane conformations and calculate membrane properties and relate them to experimental observables. Correlations between particular conformational properties and complex membrane functions would aid in the interpretation of the functions and provide the basis for further experimental work. In any case, quantitative agreement between calculation and experiment is essential. This chapter describes a simple model for the gel-to-liquid crystalline transition of lipid bilayers. Bilayer membranes composed of a single lipid undergo a gel-to-liquid crystalline transition at a temperature defined by the chemical nature of the lipid, the degree of hydration, and basic structure of the membrane. This transition has been described extensively for bilayer membranes made of dipalmitoylphosphatidylcholine (DPPC). The approach is to introduce as much experimental information as possible into the calculation, assume values for a minimal number of additional parameters, and then test the results quantitatively with experimental data. The chapter reviews other MC simulations of one- and two-component membrane systems and discusses the computational methods applied.
UR - http://www.scopus.com/inward/record.url?scp=0028672837&partnerID=8YFLogxK
U2 - 10.1016/S0076-6879(94)40064-4
DO - 10.1016/S0076-6879(94)40064-4
M3 - Article
C2 - 7823849
AN - SCOPUS:0028672837
SN - 0076-6879
VL - 240
SP - 569
EP - 593
JO - Methods in Enzymology
JF - Methods in Enzymology
IS - C
ER -