ArticleSoft matter2012
A Simulation Study of the Self-Assembly of Coarse-Grained Skin Lipids.
Article in Soft matter, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
15 citing papers in PubMed, 35 citations in OpenAlex.
- Multiscale simulation of stratum corneum lipid mixtures: effects of ceramide headgroups on structural organization and hydrogen bonding networks.International journal of pharmaceutics · 2026Article
- New Coarse-Grained Models for Stratum Corneum Ceramides Reveal Headgroup-Dependent Structural Organization.The journal of physical chemistry. B · 2025Article
- The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations.Biophysical journal · 2024Article
- The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study.Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Interaction of Macromolecular Chain with Phospholipid Membranes in Solutions: A Dissipative Particle Dynamics Simulation Study.Molecules (Basel, Switzerland) · 2023Article
- Article
- Using molecular simulation to understand the skin barrier.Progress in lipid research · 2022Review
- Multiscale Simulation of Ternary Stratum Corneum Lipid Mixtures: Effects of Cholesterol Composition.Langmuir : the ACS journal of surfaces and colloids · 2022Article
- Asymmetric Lipid Membranes under Shear Flows: A Dissipative Particle Dynamics Study.Membranes · 2021Article
- Article
- Predicting asymmetric phospholipid microstructures in solutions.RSC advances · 2020Article
- Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics.Journal of computer-aided molecular design · 2018Article
- A Coarse-Grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS.The journal of physical chemistry. B · 2016Article
- Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion.The Journal of chemical physics · 2014Article
- Coarse-Grained Molecular Models of Water: A Review.Molecular simulation · 2012Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
Computer simulations are an attractive means by which to probe the self-assembly and molecular level organization of lipids in biological membranes. In this work, we study a simple skin lipid system to demonstrate the ability of the coarse-grained models used for fatty acids, cholesterol, and water to self-assemble, thus validating the models for use in further studies of the complex lipid mixtures found in the outermost layer of the skin. Specifically, the ability of the models to predict the correct self-assembled structures from molecular dynamics simulations is compared against those seen experimentally and from all-atom simulations of preassembled bilayers. The nature of the molecular interactions and their roles in the self-assembly process is elucidated and heuristics for self-assembly established. Additionally, the coarse-grained models have been used to characterize the effect of varying cholesterol composition on bilayer properties and the mechanism of bilayer destabilization by short and long chain fatty acids in the presence of cholesterol.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.