Advances in Computational Biology by Hugo O. Villar (Eds.)

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By Hugo O. Villar (Eds.)

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A. Critical Mixing and Phase Diagram of Lipid-Polypeptide Mixtures In this section we show how numerical simulations can be used to model the gel-fluid coexistence loop and the lower critical mixing point found in lipidpolypeptide mixtures. The model was a combination of the microscopic interaction model of Eqs. , 1993b). The simulation results agreed well with the experimental data of Morrow et al. (1985) and Morrow and Davis (1988). 25 A, where d^Q is the acyl-chain length of DPPC in the fluid state.

A theoretical model was proposed for the relation between the mean lifetime of gramicidin channels and the thickness of lipid bilayers by Elliott et al. (1983) and was modified by Huang (1986) in terms of an elastic bilayer deformation. The basic idea of the model is as follows: When a dimeric gramicidin channel is formed in a membrane of thickness greater than the length of the channel, the membrane deforms locally to acconmiodate the channel. The restoring force of the deformed membrane will then reduce the stability of the dimer.

The model was a combination of the microscopic interaction model of Eqs. , 1993b). The simulation results agreed well with the experimental data of Morrow et al. (1985) and Morrow and Davis (1988). 25 A, where d^Q is the acyl-chain length of DPPC in the fluid state. 25 x 10"^^erg. In the present version of the model, the pure DPPC bilayer has a fluctuation-dominated first-order transition. Extremely long simulations were performed at the chemical potential corresponding to the transition at the chosen temperature.

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