'KMC-TDGL'-a Coarse-grained Methodology for Simulating Interfacial Dynamics in Complex Fluids: Application to Protein-mediated Membrane Processes

Overview

Journal Mol Phys

Date 2020 Jul 30

PMID 32724265

Citations 13

Authors

J Weinstein

R Radhakrishnan

Affiliations

Soon will be listed here.

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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Nonaxisymmetric Shapes of Biological Membranes from Locally Induced Curvature.

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