“KMC-TDGL”—a coarse-grained methodology for simulating interfacial dynamics in complex fluids: application to protein-mediated membrane processes

J Weinstein, R Radhakrishnan - Molecular physics, 2006 - Taylor & Francis
Molecular physics, 2006Taylor & Francis
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 …
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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