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Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases

[Image: see text] We establish a computational approach to extract the bending modulus, K(C), for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on K(C) in multicomponent membranes over a large range of rig...

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Autores principales: Khelashvili, George, Kollmitzer, Benjamin, Heftberger, Peter, Pabst, Georg, Harries, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770052/
https://www.ncbi.nlm.nih.gov/pubmed/24039553
http://dx.doi.org/10.1021/ct400492e
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author Khelashvili, George
Kollmitzer, Benjamin
Heftberger, Peter
Pabst, Georg
Harries, Daniel
author_facet Khelashvili, George
Kollmitzer, Benjamin
Heftberger, Peter
Pabst, Georg
Harries, Daniel
author_sort Khelashvili, George
collection PubMed
description [Image: see text] We establish a computational approach to extract the bending modulus, K(C), for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on K(C) in multicomponent membranes over a large range of rigidities in different thermodynamic phases. Predictions are validated by experiments even where the standard spectral analysis-based methods fail. The local nature of this method potentially allows its extension to calculations of K(C) in protein-laden membranes.
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spelling pubmed-37700522013-09-13 Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases Khelashvili, George Kollmitzer, Benjamin Heftberger, Peter Pabst, Georg Harries, Daniel J Chem Theory Comput [Image: see text] We establish a computational approach to extract the bending modulus, K(C), for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on K(C) in multicomponent membranes over a large range of rigidities in different thermodynamic phases. Predictions are validated by experiments even where the standard spectral analysis-based methods fail. The local nature of this method potentially allows its extension to calculations of K(C) in protein-laden membranes. American Chemical Society 2013-07-26 2013-09-10 /pmc/articles/PMC3770052/ /pubmed/24039553 http://dx.doi.org/10.1021/ct400492e Text en Copyright © 2013 American Chemical Society Terms of Use (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html)
spellingShingle Khelashvili, George
Kollmitzer, Benjamin
Heftberger, Peter
Pabst, Georg
Harries, Daniel
Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title_full Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title_fullStr Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title_full_unstemmed Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title_short Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
title_sort calculating the bending modulus for multicomponent lipid membranes in different thermodynamic phases
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770052/
https://www.ncbi.nlm.nih.gov/pubmed/24039553
http://dx.doi.org/10.1021/ct400492e
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