Two-component coarse-grained molecular-dynamics model for the human erythrocyte membrane.

Abstract:

:We present a two-component coarse-grained molecular-dynamics model for simulating the erythrocyte membrane. The proposed model possesses the key feature of combing the lipid bilayer and the erythrocyte cytoskeleton, thus showing both the fluidic behavior of the lipid bilayer and the elastic properties of the erythrocyte cytoskeleton. In this model, three types of coarse-grained particles are introduced to represent clusters of lipid molecules, actin junctions, and band-3 complexes, respectively. The proposed model facilitates simulations that span large length scales (approximately micrometers) and timescales (approximately milliseconds). By tuning the interaction potential parameters, we were able to control the diffusivity and bending rigidity of the membrane model. We studied the membrane under shearing and found that at a low shear strain rate, the developed shear stress was due mainly to the spectrin network, whereas the viscosity of the lipid bilayer contributed to the resulting shear stress at higher strain rates. In addition, we investigated the effects of a reduced spectrin network connectivity on the shear modulus of the membrane.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Li H,Lykotrafitis G

doi

10.1016/j.bpj.2011.11.4012

subject

Has Abstract

pub_date

2012-01-04 00:00:00

pages

75-84

issue

1

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(11)05363-X

journal_volume

102

pub_type

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