Plant protein-lipid interfaces studied by molecular dynamics simulations
Language English Country Great Britain, England Media print
Document type Journal Article, Review
Grant support
22-35680M
Czech Science Foundation
154324
Charles University
PubMed
38761107
DOI
10.1093/jxb/erae228
PII: 7676306
Knihovny.cz E-resources
- Keywords
- Integral membrane protein, membrane, molecular dynamics simulations, peripheral membrane protein, protein–lipid interactions, structural modelling,
- MeSH
- Plant Proteins * metabolism chemistry MeSH
- Plants metabolism MeSH
- Molecular Dynamics Simulation * MeSH
- Publication type
- Journal Article MeSH
- Review MeSH
- Names of Substances
- Plant Proteins * MeSH
The delineation of protein-lipid interfaces is essential for understanding the mechanisms of various membrane-associated processes crucial to plant development and growth, including signalling, trafficking, and membrane transport. Due to their highly dynamic nature, the precise characterization of lipid-protein interactions by experimental techniques is challenging. Molecular dynamics simulations provide a powerful computational alternative with a spatial-temporal resolution allowing the atomistic-level description. In this review, we aim to introduce plant scientists to molecular dynamics simulations. We describe different steps of performing molecular dynamics simulations and provide a broad survey of molecular dynamics studies investigating plant protein-lipid interfaces. Our aim is also to illustrate that combining molecular dynamics simulations with artificial intelligence-based protein structure determination opens up unprecedented possibilities for future investigations of dynamic plant protein-lipid interfaces.
References provided by Crossref.org
Exploring lipid-protein interactions in plant membranes
