Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1785044308812890112 |
---|---|
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. |
format | Online Article Text |
id | pubmed-10196259 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT coreyra abriefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations AT baadenm abriefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations AT chaventm abriefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations AT coreyra briefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations AT baadenm briefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations AT chaventm briefhistoryofvisualizingmembranesystemsinmoleculardynamicssimulations |