A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations

Lipid membranes and membrane deformations are a long-standing area of research in soft matter and biophysics. Computer simulations have complemented analytical and experimental approaches as one of the pillars in the field. However, setting up and using membrane simulations can come with barriers due to the multidisciplinary effort involved and the vast choice of existing simulations models. In this review, we introduce the non-expert reader to coarse-grained membrane simulations at the mesoscale. Firstly, we give a concise overview of the modelling approaches to study fluid membranes, together with guidance to more specialized references. Secondly, we provide a conceptual guide on how to develop mesoscale membrane simulations. Lastly, we construct a hands-on tutorial on how to apply mesoscale membrane simulations, by providing a pedagogical examination of membrane tether pulling, shape and mechanics of membrane tubes, and membrane fluctuations with three different membrane models, and discussing them in terms of their scope and how resource-intensive they are. To ease the reader's venture into the field, we provide a repository with ready-to-run tutorials.

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Publication Details

Journal
Soft Matter
Published
2025-01-01
DOI
https://doi.org/10.1039/d5sm00148j
Citations
2
Primary Topic
Lipid Membrane Structure and Behavior
Type
article
Field-Weighted Citation Impact
1.61
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article

A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations

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2 citations
Soft Matter
Lipid Membrane Structure and Behavior
1.61
article

A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations

Maitane Muñoz Basagoiti, Anđela Šarić, Miguel Amaral, Billie Meadowcroft, Felix J. Frey, Adam Přáda
article en
2 citations

Abstract

Lipid membranes and membrane deformations are a long-standing area of research in soft matter and biophysics. Computer simulations have complemented analytical and experimental approaches as one of the pillars in the field. However, setting up and using membrane simulations can come with barriers due to the multidisciplinary effort involved and the vast choice of existing simulations models. In this review, we introduce the non-expert reader to coarse-grained membrane simulations at the mesoscale. Firstly, we give a concise overview of the modelling approaches to study fluid membranes, together with guidance to more specialized references. Secondly, we provide a conceptual guide on how to develop mesoscale membrane simulations. Lastly, we construct a hands-on tutorial on how to apply mesoscale membrane simulations, by providing a pedagogical examination of membrane tether pulling, shape and mechanics of membrane tubes, and membrane fluctuations with three different membrane models, and discussing them in terms of their scope and how resource-intensive they are. To ease the reader's venture into the field, we provide a repository with ready-to-run tutorials.

Soft MatterVol. 21(40)
Institute of Science and Technology Austria (AT), University College London (GB)
Openalex Percentile: Top 16%
Lipid Membrane Structure and Behavior
1.61
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