A Guiding Potential Method for Evaluating the Bending Rigidity of Tensionless Lipid Membranes from Molecular Simulation

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A Guiding Potential Method for Evaluating the Bending Rigidity of Tensionless Lipid Membranes from Molecular Simulation

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Title: A Guiding Potential Method for Evaluating the Bending Rigidity of Tensionless Lipid Membranes from Molecular Simulation
Author(s):
Kawamoto, Shuhei;
Nakamura, Takenobu;
Nielsen, Steven O. (UT Dallas);
Shinoda, Wataru
Format: Text
Item Type: Article
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Abstract: A new method is proposed to estimate the bending rigidity of lipid membranes from molecular dynamics simulations. An external cylindrical guiding potential is used to impose a sinusoidal deformation to a planar membrane. The bending rigidity is obtained from the mean force acting on the cylinder by calibrating against a discretized Helfrich model that accounts for thermal fluctuations of the membrane surface. The method has been successfully applied to a dimyristoyl phosphatidylcholine bilayer simulated with a coarse-grained model. A well-converged bending rigidity was obtained for the tension-free membrane and showed reasonable agreement with that obtained from the height fluctuation spectrum.
ISSN: 0021-9606
Persistent Link: http://hdl.handle.net/10735.1/3766
http://dx.doi.org/10.1063/1.4811677
Terms of Use: ©2013 AIP Publishing LLC
Sponsors: "This work is supported by JSPS KAKENHI Grant No. 23350014, the Next Generation Super Computing Project, TCCI/CMSI in the Strategic Programs for Innovative Research, MEXT, Japan, and HPCI Systems Research Projects (Project ID hp120093)."

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