membranereviewtutorials
Ready-to-run tutorials from the membrane review.
Science Score: 67.0%
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Low similarity (4.5%) to scientific vocabulary
Repository
Ready-to-run tutorials from the membrane review.
Basic Info
- Host: GitHub
- Owner: Saric-Group
- Language: C
- Default Branch: main
- Size: 9.56 MB
Statistics
- Stars: 3
- Watchers: 2
- Forks: 0
- Open Issues: 0
- Releases: 1
Metadata Files
README.md
A guide to modeling mesoscale membrane deformations with coarse-grained computer simulations
This repository contains ready-to-run tutorials on the simulation tests presented in the membrane review by M. Muñoz-Basagoiti, F. Frey, B. Meadowcroft, M. Amaral, A. Prada, and A. Saric^RevCit.
Table of contents
Tutorials
1. Three-beads-per-lipid membrane: Cooke model
2. One-particle thick fluid membrane: YLZ model
3. Dynamically triangulated membrane model I: Monte Carlo simulations with C code
4. Dynamically triangulated membrane model II: Parallelized HMC simulations with TriLMP
Reporting bugs and feedback
Please report any bugs. Feedback on how to improve these tutorials is welcome.
[^RevCit]: Munoz-Basagoiti, Frey, Meadowcroft, Amaral, Prada and Saric, A guide to modeling mesoscale membrane deformations with coarse-grained computer simulations (Soft Matter, 2025) [^Siggel2022]: Siggel, M. et al. (2022) TriMem: A Parallelized Hybrid Monte Carlo Software for Efficient Simulations of Lipid Membranes. J. Chem. Phys. (in press) (2022); https://doi.org/10.1063/5.0101118
Owner
- Name: Šarić Group
- Login: Saric-Group
- Kind: organization
- Repositories: 2
- Profile: https://github.com/Saric-Group
Repositories belonging to the Šarić research group (IPLS, UCL)
Citation (CITATION.cff)
# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!
# MMB COMMENT: MUST BE UPDATED!
cff-version: 1.2.0
title: Tutorials for Membrane Review
message: >-
If you use this software, please cite it using the
metadata from this file.
type: software
authors:
- given-names: Miguel
family-names: Amaral
email: miguel.amaral@ista.ac.at
affiliation: ISTA
- given-names: Adam
family-names: Prada
email: adam.prada@ista.ac.at
affiliation: ISTA
- given-names: Maitane
family-names: Munoz-Basagoiti
email: maitane.munoz-basagoiti@ista.ac.at
affiliation: ISTA
- given-names: Felix
family-names: Frey
email: felix.frey@ista.ac.at
affiliation: ISTA
- given-names: Billie
family-names: Meadowcroft
email: billie.meadowcroft@ista.ac.at
affiliation: ISTA
- given-names: Andela
family-names: Saric
email: andela.saric@ista.ac.at
affiliation: ISTA
repository-code: 'https://github.com/Saric-Group/MembraneReviewTutorials'
abstract: >-
All biological cells are defined by a plasma membrane that
protects the interior of the cell from the extracellular
environment. This membrane is frequently deformed across
different scales in various cellular processes. Due to the
relevance of the topic, the study of membranes and
membrane deformations is a long-standing area of research
in biophysics and soft matter, using both experimental and
theoretical approaches. Various approaches are used for
modeling membranes and membrane deformations. Analytical
and numerical modeling has greatly advanced our knowledge
of simplified or reconstituted systems. In addition,
computer simulations with varying degrees of detail are
used.
Such simulations have the advantage that they can also be
applied to highly complex biological problems. They are
therefore a suitable tool for investigating membranes that
interact with passive or active molecular structures.
While it is undisputed that computational modeling is a
very powerful approach, in practice it comes with many
difficulties and complications. In particular, beginners
and non-experts may struggle with the basic understanding
of the simulation models, making it difficult to develop
meaningful models. This is partially due to the extension
period of time over which this field has developed, but
also because of the requirement of two very different
expertise to develop and apply such simulations:
theoretical statistical physics and programming. With this
review, we aim to introduce the non-expert reader to
non-specific-lipid coarse-grained membrane simulations at
the mesoscale using a three-step protocol. First, we
provide a short but concise overview of the computational
approaches to study fluid membranes as a starting point
from which readers are directed to more specialized
references. Second, we provide a conceptual guide on how
to develop coarse-grained membrane simulations. And third,
we construct a hands on tutorial on how to apply mesoscale
membrane simulations. Specifically, our focus is on a
comparison of different models and a pedagogical
examination of them in terms of what these models can
achieve and how resource-intensive they are. To ease the
non-expert reader's venture into the field, we provide a
GitHub repository with ready-to-run tutorials/code to
simulate the different models.
keywords:
- simulation
- membrane
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