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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2013
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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. |
format | Online Article Text |
id | pubmed-3770052 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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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