'KMC-TDGL'-a coarse-grained methodology for simulating interfacial dynamics in complex fluids: application to
J Weinstein1, R Radhakrishnan1
1Department of Bioengineering, University of Pennsylvania, 240 Skirkanich Hall, 210 S. 33rd Street, Philadelphia PA 19104, USA.
Abstract:
In this article, we describe a new multiscale simulation algorithm (which we term the 'KMC-TDGL' method) applicable for the description of equilibrium and dynamic processes associated with a particular class of complex fluids with nanoscale inclusions, namely, biological membranes mediated by membrane-associating and membrane-bound proteins. We adopt a novel strategy of integrating two different phenomenological approaches, namely, a field theoretic (continuum) description for the membrane dynamics given by the time-dependent Ginzburg-Landau equation and a random walk on a discretized lattice description for protein diffusion dynamics. We illustrate that this integrated approach results in a unified description of protein-mediated membrane dynamics.
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