Backmapping triangulated surfaces to coarse-grained membrane models

Computer simulations of large-scale changes in membrane shape are challenging since they occur across a wide range of spatiotemporal scales. Here, authors present a multiscale algorithm that backmaps a continuum membrane model represented as a dynamically triangulated surface to its corresponding mo...

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Autores principales:	Weria Pezeshkian, Melanie König, Tsjerk A. Wassenaar, Siewert J. Marrink
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/c56f67a2bf8f4ce9b0a23fb2e03f8967
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id	oai:doaj.org-article:c56f67a2bf8f4ce9b0a23fb2e03f8967
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spelling	oai:doaj.org-article:c56f67a2bf8f4ce9b0a23fb2e03f89672021-12-02T14:41:24ZBackmapping triangulated surfaces to coarse-grained membrane models10.1038/s41467-020-16094-y2041-1723https://doaj.org/article/c56f67a2bf8f4ce9b0a23fb2e03f89672020-05-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-16094-yhttps://doaj.org/toc/2041-1723Computer simulations of large-scale changes in membrane shape are challenging since they occur across a wide range of spatiotemporal scales. Here, authors present a multiscale algorithm that backmaps a continuum membrane model represented as a dynamically triangulated surface to its corresponding molecular model based on the coarse-grained Martini force field.Weria PezeshkianMelanie KönigTsjerk A. WassenaarSiewert J. MarrinkNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Weria Pezeshkian Melanie König Tsjerk A. Wassenaar Siewert J. Marrink Backmapping triangulated surfaces to coarse-grained membrane models
description	Computer simulations of large-scale changes in membrane shape are challenging since they occur across a wide range of spatiotemporal scales. Here, authors present a multiscale algorithm that backmaps a continuum membrane model represented as a dynamically triangulated surface to its corresponding molecular model based on the coarse-grained Martini force field.
format	article
author	Weria Pezeshkian Melanie König Tsjerk A. Wassenaar Siewert J. Marrink
author_facet	Weria Pezeshkian Melanie König Tsjerk A. Wassenaar Siewert J. Marrink
author_sort	Weria Pezeshkian
title	Backmapping triangulated surfaces to coarse-grained membrane models
title_short	Backmapping triangulated surfaces to coarse-grained membrane models
title_full	Backmapping triangulated surfaces to coarse-grained membrane models
title_fullStr	Backmapping triangulated surfaces to coarse-grained membrane models
title_full_unstemmed	Backmapping triangulated surfaces to coarse-grained membrane models
title_sort	backmapping triangulated surfaces to coarse-grained membrane models
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/c56f67a2bf8f4ce9b0a23fb2e03f8967
work_keys_str_mv	AT weriapezeshkian backmappingtriangulatedsurfacestocoarsegrainedmembranemodels AT melaniekonig backmappingtriangulatedsurfacestocoarsegrainedmembranemodels AT tsjerkawassenaar backmappingtriangulatedsurfacestocoarsegrainedmembranemodels AT siewertjmarrink backmappingtriangulatedsurfacestocoarsegrainedmembranemodels
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Backmapping triangulated surfaces to coarse-grained membrane models

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