ArticleBiophysical journal2013
Inclusion of lateral pressure/curvature stress effects in implicit membrane models.
Article in Biophysical journal, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.The journal of physical chemistry. B · 2024Review
- UNILIPID, a Methodology for Energetically Accurate Prediction of Protein Insertion into Implicit Membranes of Arbitrary Shape.Membranes · 2023Article
- Molecular Shape Solution for Mesoscopic Remodeling of Cellular Membranes.Annual review of biophysics · 2022Review
- Enhanced avidin binding to lipid bilayers using PDP-PE lipids with PEG-biotin linkers.Nanoscale advances · 2020Article
- Nonlamellar-Phase-Promoting Colipids Enhance Segregation of Palmitoyl Ceramide in Fluid Bilayers.Biophysical journal · 2019Article
- Membrane Curvature Sensing by Amphipathic Helices: Insights from Implicit Membrane Modeling.Biophysical journal · 2018Article
- The folding, stability and function of lactose permease differ in their dependence on bilayer lipid composition.Scientific reports · 2017Article
- A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution.Journal of chemical theory and computation · 2017Article
- Computational studies of peptide-induced membrane pore formation.Philosophical transactions of the Royal Society of London. Series B, Biological sciences · 2017Review
- Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.Biochimica et biophysica acta · 2016Review
- Article
- Implicit Membrane Investigation of the Stability of Antimicrobial Peptide β-Barrels and Arcs.The Journal of membrane biology · 2015Article
- Protein arcs may form stable pores in lipid membranes.Biophysical journal · 2014Article
- A thermodynamic approach to alamethicin pore formation.Biochimica et biophysica acta · 2014Article
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Authors and funding
2 authors.
Funding
Abstract
Implicit membrane models usually treat the membrane as a hydrophobic slab and neglect lateral pressure/curvature stress effects. As a result, they cannot distinguish, for example, PE from PC lipids. Here, the implicit membrane model IMM1 is extended to include these effects using a combination of classical thermodynamics and membrane elasticity theory. The proposed model is tested by molecular dynamics simulation of the peptides alamethicin, melittin, cyclotide kalata B1, 18A, and KKpL15. The lateral pressure term stabilizes interfacial binding due to the negative pressure at the hydrocarbon-water interface. In agreement with experiment, increase in the peptide/lipid molar ratio shifts the equilibrium from the interfacial to the transmembrane orientation. Simulations of mixed DOPC/DOPE bilayers show that increase of the DOPE mole fraction in general stabilizes interfacial orientations and destabilizes transmembrane orientations. The extent of the stabilization or destabilization varies depending on the exact position of the peptides. The computational results are in good agreement with experiments.
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