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Thermodynamic study of benzocaine insertion into different lipid bilayers
(American Institute of Physics, 2011-10)
Despite the general consensus concerning the role played by sodium channels in the molecular mechanism of local anesthetics, the potency of anaesthetic drugs also seems to be related with their solubility in lipid bilayers. ...
Role of transmembrane proteins for phase separation and domain registration in asymmetric lipid bilayers
(2019-08-01)
It is well known that the formation and spatial correlation of lipid domains in the two apposed leaflets of a bilayer are influenced by weak lipid–lipid interactions across the bilayer’s midplane. Transmembrane proteins ...
Molecular dynamics simulations of glyphosate in a DPPC lipid bilayer
(Elsevier, 2018-07)
Extensive molecular dynamics simulations have been performed to study the effect of glyphosate (in their neutral and charged forms, GLYP and GLYP 2− , respectively) on fully hydrated DiPalmitoylPhosphatidylCholine (DPPC) ...
Transmembrane domain dimerization induces cholesterol rafts in curved lipid bilayers
(Royal Society of Chemistry, 2019-01)
Are the dimerization of transmembrane (TM) domains and the reorganization of the lipid bilayer two independent events? Does one event induce or interfere with the other? In this work, we have performed well-tempered ...
Ion channels from the Bacillus subtilis plasma membrane incorporated into planar lipid bilayers
(1992)
Fusion of Bacillus subtilis plasma membrane vesicles with planar lipid bilayers induced the appearance of discrete current fluctuations characteristic of ion channels. These channels showed a wide range of conductances and ...
Naratriptan aggregation in lipid bilayers: perspectives from molecular dynamics simulations
(Springer, 2016-09)
In order to understand the interaction between naratriptan and a fully hydrated bilayer of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidyl-choline (POPC), we carried out molecular dynamics simulations. The simulations were ...
Quercetin induces lipid domain-dependent permeability
(2022-01-01)
Quercetin is a polyphenolic molecule with a broad spectrum of biological activities derived from its antioxidant property. Its mechanism of action has been explained by its binding and/or interference with enzymes, receptors, ...
A Method for Detection of Water Permeation Events in Molecular Dynamics Simulations of Lipid Bilayers
(2022-06-01)
The cell membrane is one of the most important structures of life. Understanding its functioning is essential for several human knowledge areas, mainly how it controls the efflux of substances between the cytoplasm and the ...