ArticleBiophysical journal2004
Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics.
Article in Biophysical journal, 2004. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed, 50 citations in OpenAlex.
- Gramicidin A Channel Formation Induces Local Lipid Redistribution I: Experiment and Simulation.Biophysical journal · 2017Article
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- An investigation of the effect of membrane curvature on transmembrane-domain dependent protein sorting in lipid bilayers.Cellular logistics · 2014Article
- Lipid Fluid-Gel Phase Transition Induced Alamethicin Orientational Change Probed by Sum Frequency Generation Vibrational Spectroscopy.The journal of physical chemistry. C, Nanomaterials and interfaces · 2013Article
- To forge a solid immune recognition.Protein & cell · 2012Article
- Hydrophobic mismatch and lipid sorting near OmpA in mixed bilayers: atomistic and coarse-grained simulations.Biophysical journal · 2012Article
- Aggregation of model membrane proteins, modulated by hydrophobic mismatch, membrane curvature, and protein class.Biophysical journal · 2011Article
- Coarse-grained molecular dynamics of tetrameric transmembrane peptide bundles within a lipid bilayer.Chemistry and physics of lipids · 2010Article
- De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications.Accounts of chemical research · 2010Article
- The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures.The Journal of chemical physics · 2009Article
- Peptide nanopores and lipid bilayers: interactions by coarse-grained molecular-dynamics simulations.Biophysical journal · 2009Article
- DNA and lipid bilayers: self-assembly and insertion.Journal of the Royal Society, Interface · 2008Article
- Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics study.Biophysical journal · 2008Article
- Coarse-grained simulations of the membrane-active antimicrobial Peptide maculatin 1.1.Biophysical journal · 2008Article
- The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations.Biophysical journal · 2008Article
- The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.The Journal of chemical physics · 2008Article
- The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models.The Journal of chemical physics · 2008Article
- Multiscale coarse-graining and structural correlations: connections to liquid-state theory.The journal of physical chemistry. B · 2007Article
- Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.Proceedings of the National Academy of Sciences of the United States of America · 2007Article
- Insertion and assembly of membrane proteins via simulation.Journal of the American Chemical Society · 2006Article
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular dynamics results are presented for a coarse-grain model of 1,2-di-n-alkanoyl-sn-glycero-3-phosphocholine, water, and a capped cylindrical model of a transmembrane peptide. We first demonstrate that different alkanoyl-length lipids are miscible in the liquid-disordered lamellar (Lalpha) phase. The transmembrane peptide is constructed of hydrophobic sites with hydrophilic caps. The hydrophobic length of the peptide is smaller than the hydrophobic thickness of a bilayer consisting of an equal mixture of long and short alkanoyl tail lipids. When incorporated into the membrane, a meniscus forms in the vicinity of the peptide and the surrounding area is enriched in the short lipid. The meniscus region draws water into it. In the regions that are depleted of water, the bilayers can fuse. The lipid headgroups then rearrange to solvate the newly formed water pores, resulting in an inverted phase. This mechanism appears to be a viable pathway for the experimentally observed Lalpha-to-inverse hexagonal (HII) peptide-induced phase transition.
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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.