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A brief history of visualizing membrane systems in molecular dynamics simulations

Understanding lipid dynamics and function, from the level of single, isolated molecules to large assemblies, is more than ever an intensive area of research. The interactions of lipids with other molecules, particularly membrane proteins, are now extensively studied. With advances in the development...

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Detalles Bibliográficos
Autores principales: Corey, R. A., Baaden, M., Chavent, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10196259/
https://www.ncbi.nlm.nih.gov/pubmed/37213533
http://dx.doi.org/10.3389/fbinf.2023.1149744
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author Corey, R. A.
Baaden, M.
Chavent, M.
author_facet Corey, R. A.
Baaden, M.
Chavent, M.
author_sort Corey, R. A.
collection PubMed
description Understanding lipid dynamics and function, from the level of single, isolated molecules to large assemblies, is more than ever an intensive area of research. The interactions of lipids with other molecules, particularly membrane proteins, are now extensively studied. With advances in the development of force fields for molecular dynamics simulations (MD) and increases in computational resources, the creation of realistic and complex membrane systems is now common. In this perspective, we will review four decades of the history of molecular dynamics simulations applied to membranes and lipids through the prism of molecular graphics.
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spelling pubmed-101962592023-05-20 A brief history of visualizing membrane systems in molecular dynamics simulations Corey, R. A. Baaden, M. Chavent, M. Front Bioinform Bioinformatics Understanding lipid dynamics and function, from the level of single, isolated molecules to large assemblies, is more than ever an intensive area of research. The interactions of lipids with other molecules, particularly membrane proteins, are now extensively studied. With advances in the development of force fields for molecular dynamics simulations (MD) and increases in computational resources, the creation of realistic and complex membrane systems is now common. In this perspective, we will review four decades of the history of molecular dynamics simulations applied to membranes and lipids through the prism of molecular graphics. Frontiers Media S.A. 2023-05-05 /pmc/articles/PMC10196259/ /pubmed/37213533 http://dx.doi.org/10.3389/fbinf.2023.1149744 Text en Copyright © 2023 Corey, Baaden and Chavent. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Bioinformatics
Corey, R. A.
Baaden, M.
Chavent, M.
A brief history of visualizing membrane systems in molecular dynamics simulations
title A brief history of visualizing membrane systems in molecular dynamics simulations
title_full A brief history of visualizing membrane systems in molecular dynamics simulations
title_fullStr A brief history of visualizing membrane systems in molecular dynamics simulations
title_full_unstemmed A brief history of visualizing membrane systems in molecular dynamics simulations
title_short A brief history of visualizing membrane systems in molecular dynamics simulations
title_sort brief history of visualizing membrane systems in molecular dynamics simulations
topic Bioinformatics
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10196259/
https://www.ncbi.nlm.nih.gov/pubmed/37213533
http://dx.doi.org/10.3389/fbinf.2023.1149744
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