Chin. Phys. Lett.  2010, Vol. 27 Issue (2): 028704    DOI: 10.1088/0256-307X/27/2/028704
CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
Coarse-Grained Molecular Dynamics Simulation of a Red Blood Cell
JIANG Li-Guo, WU Heng-An, ZHOU Xiao-Zhou, WANG Xiu-Xi
CAS Key Laboratory of Materials Behavior and Design, Department of Modern Mechanics, University of Science and Technology of China, Hefei 230027
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JIANG Li-Guo, WU Heng-An, ZHOU Xiao-Zhou et al  2010 Chin. Phys. Lett. 27 028704
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Abstract A worm-like chain model based on a spectrin network is employed to study the biomechanics of red blood cells. Coarse-grained molecular dynamics simulations are performed to obtain a stable configuration free of external loadings. We also discuss the influence of two parameters: the average bending modulus and the persistence length. The change in shape of a malaria-infected red blood cell can contribute to the change in its molecular-based structure. As the persistence length of the membrane network in the infected red blood cell decreases, the deformability decreases and the biconcave shape is destroyed. The numerical results are comparable with previously reported experimental results. The coarse-grained model can be used to study the relationship between macro-mechanical properties and molecular-scale structures of cells.
Keywords: 87.16.Ac      87.16.Dg      02.70.Ns     
Received: 27 July 2009      Published: 08 February 2010
PACS:  87.16.Ac  
  87.16.Dg  
  02.70.Ns (Molecular dynamics and particle methods)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/27/2/028704       OR      https://cpl.iphy.ac.cn/Y2010/V27/I2/028704
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JIANG Li-Guo
WU Heng-An
ZHOU Xiao-Zhou
WANG Xiu-Xi
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