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Int. J. Mol. Sci. 2013, 14(4), 7932-7958; doi:10.3390/ijms14047932
Article

Effects of Antimicrobial Peptide Revealed by Simulations: Translocation, Pore Formation, Membrane Corrugation and Euler Buckling

1
,
1
,
1,* , 1
 and
2,*
1 Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education,College of Chemistry, Beijing Normal University, Beijing 100875, China 2 Physics Department, West Virginia University, Morgantown, WV 26506-6315, USA
* Authors to whom correspondence should be addressed.
Received: 9 January 2013 / Revised: 5 March 2013 / Accepted: 27 March 2013 / Published: 11 April 2013
(This article belongs to the Special Issue Computational Modelling of Biological Membranes)
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Abstract

We explore the effects of the peripheral and transmembrane antimicrobial peptides on the lipid bilayer membrane by using the coarse grained Dissipative Particle Dynamics simulations. We study peptide/lipid membrane complexes by considering peptides with various structure, hydrophobicity and peptide/lipid interaction strength. The role of lipid/water interaction is also discussed. We discuss a rich variety of membrane morphological changes induced by peptides, such as pore formation, membrane corrugation and Euler buckling.
Keywords: antimicrobial peptides; membrane; dissipative particle dynamics antimicrobial peptides; membrane; dissipative particle dynamics
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Chen, L.; Jia, N.; Gao, L.; Fang, W.; Golubovic, L. Effects of Antimicrobial Peptide Revealed by Simulations: Translocation, Pore Formation, Membrane Corrugation and Euler Buckling. Int. J. Mol. Sci. 2013, 14, 7932-7958.

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