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Computational Modeling of Realistic Cell Membranes

[Image: see text] Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which...

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Autores principales: Marrink, Siewert J., Corradi, Valentina, Souza, Paulo C.T., Ingólfsson, Helgi I., Tieleman, D. Peter, Sansom, Mark S.P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509646/
https://www.ncbi.nlm.nih.gov/pubmed/30623647
http://dx.doi.org/10.1021/acs.chemrev.8b00460
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author Marrink, Siewert J.
Corradi, Valentina
Souza, Paulo C.T.
Ingólfsson, Helgi I.
Tieleman, D. Peter
Sansom, Mark S.P.
author_facet Marrink, Siewert J.
Corradi, Valentina
Souza, Paulo C.T.
Ingólfsson, Helgi I.
Tieleman, D. Peter
Sansom, Mark S.P.
author_sort Marrink, Siewert J.
collection PubMed
description [Image: see text] Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which is still poorly understood. Computational models, in particular molecular dynamics simulations and related techniques, have provided important insight into the organizational principles of cell membranes over the past decades. Now, we are witnessing a transition from simulations of simpler membrane models to multicomponent systems, culminating in realistic models of an increasing variety of cell types and organelles. Here, we review the state of the art in the field of realistic membrane simulations and discuss the current limitations and challenges ahead.
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spelling pubmed-65096462019-05-13 Computational Modeling of Realistic Cell Membranes Marrink, Siewert J. Corradi, Valentina Souza, Paulo C.T. Ingólfsson, Helgi I. Tieleman, D. Peter Sansom, Mark S.P. Chem Rev [Image: see text] Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which is still poorly understood. Computational models, in particular molecular dynamics simulations and related techniques, have provided important insight into the organizational principles of cell membranes over the past decades. Now, we are witnessing a transition from simulations of simpler membrane models to multicomponent systems, culminating in realistic models of an increasing variety of cell types and organelles. Here, we review the state of the art in the field of realistic membrane simulations and discuss the current limitations and challenges ahead. American Chemical Society 2019-01-09 2019-05-08 /pmc/articles/PMC6509646/ /pubmed/30623647 http://dx.doi.org/10.1021/acs.chemrev.8b00460 Text en Copyright © 2019 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Marrink, Siewert J.
Corradi, Valentina
Souza, Paulo C.T.
Ingólfsson, Helgi I.
Tieleman, D. Peter
Sansom, Mark S.P.
Computational Modeling of Realistic Cell Membranes
title Computational Modeling of Realistic Cell Membranes
title_full Computational Modeling of Realistic Cell Membranes
title_fullStr Computational Modeling of Realistic Cell Membranes
title_full_unstemmed Computational Modeling of Realistic Cell Membranes
title_short Computational Modeling of Realistic Cell Membranes
title_sort computational modeling of realistic cell membranes
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509646/
https://www.ncbi.nlm.nih.gov/pubmed/30623647
http://dx.doi.org/10.1021/acs.chemrev.8b00460
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