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Biophys J, December 2002, p. 3357-3370, Vol. 83, No. 6
Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, University of Utah, Salt Lake City, Utah 84112-0850 USA
A lipid bilayer is modeled using a mesoscopic model
designed to bridge atomistic bilayer simulations with macro-scale
continuum-level simulation. Key material properties obtained from
detailed atomistic-level simulations are used to parameterize the
meso-scale model. The fundamental length and time scale of the
meso-scale simulation are at least an order of magnitude beyond that
used at the atomistic level. Dissipative particle dynamics cast in a
new membrane formulation provides the simulation methodology. A
meso-scale representation of a dimyristoylphosphatidylcholine membrane
is examined in the high and low surface tension regimes. At high
surface tensions, the calculated modulus is found to be slightly less
than the atomistically determined value. This result agrees with the
theoretical prediction that high-strain thermal undulations still
persist, which have the effect of reducing the value of the
atomistically determined modulus. Zero surface tension simulations
indicate the presence of strong thermal undulatory modes, whereas the
undulation spectrum and the calculated bending modulus are in excellent
agreement with theoretical predictions and experiment.
Biophys J, December 2002, p. 3357-3370, Vol. 83, No. 6
© 2002 by the Biophysical Society 0006-3495/02/12/3357/14 $2.00
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