Flexible lipid bilayers in implicit solvent
نویسندگان
چکیده
منابع مشابه
Implicit solvent model studies of the interactions of the influenza hemagglutinin fusion peptide with lipid bilayers.
The "fusion peptide," a segment of approximately 20 residues of the influenza hemagglutinin (HA), is necessary and sufficient for HA-induced membrane fusion. We used mean-field calculations of the free energy of peptide-membrane association (DeltaG(tot)) to deduce the most probable orientation of the fusion peptide in the membrane. The main contributions to DeltaG(tot) are probably from the ele...
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A recently developed implicit membrane model (IMM1) is supplemented with a Gouy-Chapman term describing counterion-screened electrostatic interactions of a solute with negatively charged membrane lipids. The new model is tested on peptides that bind to anionic membranes. Pentalysine binds just outside the plane of negative charge, whereas Lys-Phe peptides insert their aromatic rings into the hy...
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Continuum models that describe the effects of solvent and biological membrane molecules on the structure and behavior of antimicrobial peptides, holds a promise to improve our understanding of the mechanisms of antimicrobial action of these peptides. In such methods, a lipid bilayer model membrane is implicitly represented by multiple layers of relatively low dielectric constant embedded in a h...
متن کاملImplicit solvent models.
Implicit solvent models for biomolecular simulations are reviewed and their underlying statistical mechanical basis is discussed. The fundamental quantity that implicit models seek to approximate is the solute potential of mean force, which determines the statistical weight of solute conformations, and which is obtained by averaging over the solvent degrees of freedom. It is possible to express...
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Cell membranes contain multiple lipid and protein components having heterogeneous in-plane (lateral) distribution. Nanoscale rafts are believed to play an important functional role, but their phase state-domains of coexisting phases or composition fluctuations-is unknown. As a step toward understanding lateral organization of cell membranes, we investigate the difference between nanoscale domai...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2005
ISSN: 1539-3755,1550-2376
DOI: 10.1103/physreve.72.011915