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Improved prediction of bilayer and monolayer properties using a refined BMW-MARTINI force field
(Elsevier Science, 2016-08-31)
Coarse-grained (CG) models allow enlarging the size and time scales that are reachable by atomistic molecular dynamics simulations. A CG force field (FF) for lipids and amino acids that possesses a polarizable water model ...
Nonlinear dynamics and rupture of lipid bilayers
(1993)
The role of repulsive forces in the nonlinear dynamics of lipid bilayers is described, using a hydrodynamic approach. The lipid bilayer is considered as a fluid film with tangentially immobile surfaces and a general order ...
Formation of lipid bilayers on the pore walls of macroporous silicon
(Elsevier Science SA, 2019-02)
Electron paramagnetic resonance (EPR) spectroscopy was used to study the pore filling of macroporous silicon with lipid vesicles (liposomes), added with a spin label. Different EPR spectra were obtained with the magnetic ...
Distribution of neutral prilocaine in a phospholipid bilayer: Insights from molecular dynamics simulations
(John Wiley & Sons Inc, 2014)
Interactions of the antiviral and antiparkinson agent amantadine with lipid membranes and human erythrocytes
(ELSEVIER SCIENCE BV, 2015)
Aimed to better understand the molecular mechanisms of its interactions with cell membranes, human erythrocyte and molecular models of the red cell membrane were utilized. The latter consisted of bilayers of dimyristoylp ...
Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study
(Elsevier B.V. Sa, 2009-11-01)
In this work, we report a 20-ns constant pressure molecular dynamics simulation of the uncharged form of two amino-amide local anesthetics (LA). etidocaine and prilocaine, present at 1:3 LA:lipid, molar ratio inside the ...
The interfacial electrostatic potential modulates the insertion of cell-penetrating peptides into lipid bilayers
(Royal Society of Chemistry, 2018-06)
Cell-penetrating peptides (CPP) are short sequences of cationic amino-acids that show a surprising ability to traverse lipid bilayers. CPP are considered to be some of the most effective vectors to introduce membrane-impermeable ...
Gramicidin ion channels in a lipid bilayer supported on polyelectrolyte multilayer films: An electrochemical impedance study
(Royal Society of Chemistry, 2017-11)
Supported membranes on polymer cushions are of fundamental interest as models for cell membranes. The use of polyelectrolyte multilayers (PEMs) assembled by the layer by layer (LbL) technique as supports for a bilayer ...
Water state and carbonyl distribution populations in confined regions of lipid bilayers observed by FTIR spectroscopy
(American Chemical Society, 2013-01)
It has been suggested that water in confined regions presents different properties than bulk water, mainly because of the changes in water population species that may be induced by the adjacent walls of different polarities ...
Evidence of tryglyceride-phase incorporation into artificial bilayers for studying lipid droplets biogenesis
(Sociedad Argentina de Biofísica, 2018)
Lipid Droplets (LD) are intracelular structures consisting on an apolar lipid core - composed mainly of triglycerides (TG) and steryl esters- which is surrounded by a phospholipid and protein monolayer. LDs originate in ...