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V.P.Ivanova and T.Heimburg. 2001. A histogram method to obtain heat capacities in lipid monolayers, curved bilayers and membranes containing peptides. Phys. Rev. E 63, 041914 (2001) abstract36

Abstract: Lipid monolayer chain melting transitions were simulated using a two-state Doniach model, and experimen-tal melting profiles of lipid vesicles were analyzed. We sampled the information of a Monte Carlo simulation into a single broad histogram containing complete information about the distribution of states. The information of the monolayer histogram was first used to calculate the melting behavior of a bilayer constructed from two uncoupled monolayers. We then fitted calorimetric heat profiles of various preparations of dipalmitoyl phos-phatidylcholine vesicles. This analysis was extended to lipid bilayers. A fixed mean bilayer curvature was shown to result in a broadening of bilayer melting profiles. We furthermore used the histogram method to obtain the chain melting behavior of simple lipid-peptide mixtures.