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Journal for Biophysical Chemistry

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Temperature dependence of the short-range repulsion between hydrated phospholipid membranes: A computer simulation study

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Abstract

The temperature dependence of the short-range water-mediated repulsive pressure between supported phospholipid membranes is calculated at two intermembrane separations using the grand canonical Monte Carlo technique. At both separations, the simulated pressure tends to decrease with temperature, in qualitative agreement with the experimental measurements by Simon and co-workers [Simon et al., Biophys. J. 69, 1473 (1995)]. The decrease in pressure originates, at least in part, from a slight dehydration of the membranes and the associated reduction in the hydration component of the pressure.

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    Compared to our previous results at T=308 K (Ref. 11), the present values of n w are somewhat higher, whereas those of p are lower. The reasons are the use of substantially longer GCMC runs, the averaging of the simulation results over a series of independent runs, and the use of the rotational bias procedure, which noticeably enhanced the sampling efficiency. All these factors promoted better equilibration of the system and made the sampling more representative.

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