ArticleThe Journal of chemical physics2017
Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures.
Article in The Journal of chemical physics, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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28 citing papers in PubMed.
- Accurate determination of the preferred aggregation number of a micelle-encapsulated membrane protein dimer.Biophysical journal · 2026Article
- Understanding the coarse-grained free energy landscape of phospholipids and their phase separation.Biophysical journal · 2025Article
- Enhancing the Assembly Properties of Bottom-Up Coarse-Grained Phospholipids.Journal of chemical theory and computation · 2024Article
- In-Cell DEER Spectroscopy of Nanodisc-Delivered Membrane Proteins in Living Cell Membranes.JACS Au · 2024Article
- Changing Your Martini Can Still Give You a Hangover.Journal of chemical theory and computation · 2024Article
- System size effects on the free energy landscapes from molecular dynamics of phase-separating bilayers.The Journal of chemical physics · 2024Article
- Probing the Origins of the Disorder-to-Order Transition of a Modified Cholesterol in Ternary Lipid Bilayers.Journal of the American Chemical Society · 2024Article
- Cholesterol and Lipid Rafts in the Biogenesis of Amyloid-β Protein and Alzheimer's Disease.Annual review of biophysics · 2024Review
- Ion-Induced PIP2 Clustering with Martini3: Modification of Phosphate-Ion Interactions and Comparison with CHARMM36.The journal of physical chemistry. B · 2024Article
- Understanding the free-energy landscape of phase separation in lipid bilayers using molecular dynamics.Biophysical journal · 2023Article
- Understanding the Free Energy Landscape of Phase Separation in Lipid Bilayers using Molecular Dynamics.bioRxiv : the preprint server for biology · 2023Article
- Unsaturated Lipids Facilitate Partitioning of Transmembrane Peptides into the Liquid Ordered Phase.Journal of chemical theory and computation · 2023Article
- Efficient calculation of the free energy for protein partitioning using restraining potentials.Biophysical journal · 2023Article
- CHARMM-GUIJournal of chemical theory and computation · 2023Review
- Domain-selective disruption and compression of phase-separated lipid vesicles by amphiphilic Janus nanoparticles.iScience · 2022Article
- On Computing Equilibrium Binding Constants for Protein-Protein Association in Membranes.Journal of chemical theory and computation · 2022Article
- Pollen wall patterns as a model for biological self-assembly.Journal of experimental zoology. Part B, Molecular and developmental evolution · 2021Article
- Capturing Membrane Phase Separation by Dual Resolution Molecular Dynamics Simulations.Journal of chemical theory and computation · 2021Article
- Interfacial hydration determines orientational and functional dimorphism of sterol-derived Raman tags in lipid-coated nanoparticles.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Addressing the Excessive Aggregation of Membrane Proteins in the MARTINI Model.Journal of chemical theory and computation · 2021Article
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5 authors.
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Abstract
Model cellular membranes are known to form micro- and macroscale lipid domains dependent on molecular composition. The formation of macroscopic lipid domains by lipid mixtures has been the subject of many simulation investigations. We present a critical study of system size impact on lipid domain phase separation into liquid-ordered and liquid-disordered macroscale domains in ternary lipid mixtures. In the popular di-C16:0 PC:di-C18:2 PC:cholesterol at 35:35:30 ratio mixture, we find systems with a minimum of 1480 lipids to be necessary for the formation of macroscopic phase separated domains and systems of 10 000 lipids to achieve structurally converged conformations similar to the thermodynamic limit. To understand these results and predict the behavior of any mixture forming two phases, we develop and investigate an analytical Flory-Huggins model which is recursively validated using simulation and experimental data. We find that micro- and macroscale domains can coexist in ternary mixtures. Additionally, we analyze the distributions of specific lipid-lipid interactions in each phase, characterizing domain structures proposed based on past experimental studies. These findings offer guidance in selecting appropriate system sizes for the study of phase separations and provide new insights into the nature of domain structure for a popular ternary lipid mixture.
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