ReviewRSC advances2019
Shedding light on the structural properties of lipid bilayers using molecular dynamics simulation: a review study.
Review in RSC advances, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 47 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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
47 citing papers in PubMed.
- HLA-DRB1 Polymorphisms Modulate the Dynamic Compatibility between the Presentation of EBNA1ACS omega · 2026Article
- Screening of Xeroprotectants for Efficient Mammalian Cell Structural Preservation in Dry Conditions.ACS omega · 2026Article
- Molecular Modeling of Surfactant Interaction on Phospholipid Bilayers Mimicking Corneal Epithelium.Journal of chemical theory and computation · 2026Article
- Insights into the Possible Impact of PFAS on Phosphatidylcholine Metabolism and Membranes through Molecular Dynamics Simulations.ACS environmental Au · 2026Article
- Lipid trapping slows ball-and-chain inactivation in a calcium-activated potassium channel.Nature communications · 2026Article
- The impact of charge on chlorpromazine interaction with lipid membranes.Journal of lipid research · 2026Article
- Article
- Multiscale simulation of stratum corneum lipid mixtures: effects of ceramide headgroups on structural organization and hydrogen bonding networks.International journal of pharmaceutics · 2026Article
- Computer Simulations of Multidrug Efflux Pumps of the Resistance-Nodulation-Cell Division Superfamily.Methods in molecular biology (Clifton, N.J.) · 2026Article
- New Coarse-Grained Models for Stratum Corneum Ceramides Reveal Headgroup-Dependent Structural Organization.The journal of physical chemistry. B · 2025Article
- A tutorial for mesoscale computer simulations of lipid membranes: tether pulling, tubulation and fluctuations.Soft matter · 2025Review
- Development of Transferable Coarse-Grained Lipid Models with Optimized Structural and Elastic Membrane Properties.Journal of chemical theory and computation · 2025Article
- Evaluation of Small-Molecule Binding Site Prediction Methods on Membrane-Embedded Protein Interfaces.Journal of chemical information and modeling · 2025Article
- Insights on Natural Membrane Characterization for the Rational Design of Biomimetic Drug Delivery Systems.Pharmaceutics · 2025Review
- Next-generation cancer therapeutics: unveiling the potential of liposome-based nanoparticles through bioinformatics.Mikrochimica acta · 2025Review
- Molecular Modeling Is Key to Understanding Supramolecular Resorcinarenyl Capsules, Inclusion Complex Formation and Organic Reactions in Nanoconfined Space.Molecules (Basel, Switzerland) · 2025Review
- DPPC Membrane Under Lateral Compression and Stretching to Extreme Limits: Phase Transitions and Rupture.Membranes · 2025Article
- Atomistic Simulations and Analysis of Peripheral Membrane Proteins with Model Lipid Bilayers.Methods in molecular biology (Clifton, N.J.) · 2025Article
- The effect of minor components on canola oil oxidation: Oxidation kinetics explained by molecular interactions.Current research in food science · 2025Article
- SMARTINI3 parametrization of multi-scale membrane models via unsupervised learning methods.Scientific reports · 2024Article
Corrections and comments
- Erratum issued
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In recent years, a massive increase has been observed in the number of published articles describing accurate and reliable molecular dynamics simulations of lipid bilayers. This is due to several reasons, including the development of fast and efficient methods for treating long-range electrostatic interactions, significant progress in computer hardware, progress in atomistic simulation algorithms and the development of well-validated empirical molecular mechanical force fields. Although molecular dynamics is an effective approach for investigating different aspects of lipid bilayers, to the best of our knowledge, there is no review in the literature that explains the different analyses that can be carried out with membrane simulation. This review gives an overview about the some of the most important possible analyses, technical challenges, and existing protocols that can be performed on the biological membrane by molecular dynamics simulation. The reviewed analyses include the degree of membrane disruption, average area per lipid, probability distributions for the area per lipid molecule, membrane thickness, membrane area compressibility, lateral diffusion, rotational diffusion, order parameters, head group tilt, electron density profile, mass density profile, electrostatic potential profile, ordering of vicinity waters, number of hydrogen bonds, and radial distribution function.
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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.