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LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry

As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. In order to build accurate large-scale models of subcellular environments, models of lipid membranes with carefully conside...

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Detalles Bibliográficos
Autores principales: Durrant, Jacob D., Amaro, Rommie E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4102414/
https://www.ncbi.nlm.nih.gov/pubmed/25032790
http://dx.doi.org/10.1371/journal.pcbi.1003720
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author Durrant, Jacob D.
Amaro, Rommie E.
author_facet Durrant, Jacob D.
Amaro, Rommie E.
author_sort Durrant, Jacob D.
collection PubMed
description As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. In order to build accurate large-scale models of subcellular environments, models of lipid membranes with carefully considered, biologically relevant curvature will be essential. In the current work, we present a multi-scale utility called LipidWrapper capable of creating curved membrane models with geometries derived from various sources, both experimental and theoretical. To demonstrate its utility, we use LipidWrapper to examine an important mechanism of influenza virulence. A copy of the program can be downloaded free of charge under the terms of the open-source FreeBSD License from http://nbcr.ucsd.edu/lipidwrapper. LipidWrapper has been tested on all major computer operating systems.
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spelling pubmed-41024142014-07-21 LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry Durrant, Jacob D. Amaro, Rommie E. PLoS Comput Biol Research Article As ever larger and more complex biological systems are modeled in silico, approximating physiological lipid bilayers with simple planar models becomes increasingly unrealistic. In order to build accurate large-scale models of subcellular environments, models of lipid membranes with carefully considered, biologically relevant curvature will be essential. In the current work, we present a multi-scale utility called LipidWrapper capable of creating curved membrane models with geometries derived from various sources, both experimental and theoretical. To demonstrate its utility, we use LipidWrapper to examine an important mechanism of influenza virulence. A copy of the program can be downloaded free of charge under the terms of the open-source FreeBSD License from http://nbcr.ucsd.edu/lipidwrapper. LipidWrapper has been tested on all major computer operating systems. Public Library of Science 2014-07-17 /pmc/articles/PMC4102414/ /pubmed/25032790 http://dx.doi.org/10.1371/journal.pcbi.1003720 Text en © 2014 Durrant, Amaro http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.
spellingShingle Research Article
Durrant, Jacob D.
Amaro, Rommie E.
LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title_full LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title_fullStr LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title_full_unstemmed LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title_short LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry
title_sort lipidwrapper: an algorithm for generating large-scale membrane models of arbitrary geometry
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4102414/
https://www.ncbi.nlm.nih.gov/pubmed/25032790
http://dx.doi.org/10.1371/journal.pcbi.1003720
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