ArticleJournal of computational chemistry2016
Model parameters for simulation of physiological lipids.
Article in Journal of computational chemistry, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 53 citations in OpenAlex.
- Antibacterial effect of chlorogenic acid against Escherichia coli and Lactiplantibacillus plantarum: experimental and molecular dynamic study.World journal of microbiology & biotechnology · 2026Article
- Observation of Mechanical and Kinetic Distinctions between Individual Isoleucine and Arginine Residues in a Peptide Dissociating from a Model Lipid Bilayer.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Cholesterol Affects the Pore Formation and the Membrane-Membrane Interaction Induced by an Antimicrobial Peptide, NK-2, in Phospholipid Vesicles.The Journal of membrane biology · 2025Article
- Evidence for a transfer-to-trap mechanism of fluorophore concentration quenching in lipid bilayers.Biophysical journal · 2024Article
- Peptide Flexibility and the Hydrophobic Moment are Determinants to Evaluate the Clinical Potential of Magainins.The Journal of membrane biology · 2023Article
- Impacts of Hydrophobic Mismatch on Antimicrobial Peptide Efficacy and Bilayer Permeabilization.Antibiotics (Basel, Switzerland) · 2023Article
- Understanding the Mechanical Properties of Ultradeformable Liposomes Using Molecular Dynamics Simulations.The journal of physical chemistry. B · 2023Article
- Mitochondrial membrane model: Lipids, elastic properties, and the changing curvature of cardiolipin.Biophysical journal · 2023Article
- Probing macromolecular crowding at the lipid membrane interface with genetically-encoded sensors.Protein science : a publication of the Protein Society · 2023Article
- Residual Interactions of LL-37 with POPC and POPE:POPG Bilayer Model Studied by All-Atom Molecular Dynamics Simulation.International journal of molecular sciences · 2022Article
- SARS-CoV-2 Envelope Protein Forms Clustered Pentamers in Lipid Bilayers.Biochemistry · 2022Article
- Curvature dependence of BAR protein membrane association and dissociation kinetics.Scientific reports · 2022Article
- A Simulation Model for the Non-Electrogenic Uniport Carrier-Assisted Transport of Ions across Lipid Membranes.Membranes · 2022Article
- CD45 pre-exclusion from the tips of T cell microvilli prior to antigen recognition.Nature communications · 2021Article
- A comparison of the location in membranes of curcumin and curcumin-derived bivalent compounds with potential neuroprotective capacity for Alzheimer's disease.Colloids and surfaces. B, Biointerfaces · 2021Article
- Computational Modeling of Realistic Cell Membranes.Chemical reviews · 2019Review
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- Model parameters for simulation of physiological lipids.Journal of computational chemistry · 2016Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Coarse grain simulation of proteins in their physiological membrane environment can offer insight across timescales, but requires a comprehensive force field. Parameters are explored for multicomponent bilayers composed of unsaturated lipids DOPC and DOPE, mixed-chain saturation POPC and POPE, and anionic lipids found in bacteria: POPG and cardiolipin. A nonbond representation obtained from multiscale force matching is adapted for these lipids and combined with an improved bonding description of cholesterol. Equilibrating the area per lipid yields robust bilayer simulations and properties for common lipid mixtures with the exception of pure DOPE, which has a known tendency to form nonlamellar phase. The models maintain consistency with an existing lipid-protein interaction model, making the force field of general utility for studying membrane proteins in physiologically representative bilayers.
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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.