[HTML][HTML] Computer modelling studies of the bilayer/water interface
M Pasenkiewicz-Gierula, K Baczynski… - … et Biophysica Acta (BBA …, 2016 - Elsevier
This review summarises high resolution studies on the interface of lamellar lipid bilayers
composed of the most typical lipid molecules which constitute the lipid matrix of …
composed of the most typical lipid molecules which constitute the lipid matrix of …
Aqueous solutions at the interface with phospholipid bilayers
In a sense, life is defined by membranes, because they delineate the barrier between the
living cell and its surroundings. Membranes are also essential for regulating the machinery …
living cell and its surroundings. Membranes are also essential for regulating the machinery …
LIPID11: a modular framework for lipid simulations using amber
Accurate simulation of complex lipid bilayers has long been a goal in condensed phase
molecular dynamics (MD). Structure and function of membrane-bound proteins are highly …
molecular dynamics (MD). Structure and function of membrane-bound proteins are highly …
Role of carboxylate side chains in the cation Hofmeister series
J Kherb, SC Flores, PS Cremer - The Journal of Physical …, 2012 - ACS Publications
Thermodynamic and surface-specific spectroscopic investigations were carried with an
elastin-like polypeptide (ELP) containing 16 aspartic acid residues. The goal was to explore …
elastin-like polypeptide (ELP) containing 16 aspartic acid residues. The goal was to explore …
Effect of salt on phosphorylcholine-based zwitterionic polymer brushes
A quantitative investigation of the responses of surface-grown biocompatible brushes of poly
(2-(methacryloyloxy) ethyl phosphorylcholine)(PMPC) to different types of salt has been …
(2-(methacryloyloxy) ethyl phosphorylcholine)(PMPC) to different types of salt has been …
[HTML][HTML] Structure, dynamics, and hydration of POPC/POPS bilayers suspended in NaCl, KCl, and CsCl solutions
Effects of alkali metal chlorides on the properties of mixed negatively charged lipid bilayers
are experimentally measured and numerically simulated. Addition of 20mol% of negatively …
are experimentally measured and numerically simulated. Addition of 20mol% of negatively …
Surface-induced water crystallisation driven by precursors formed in negative pressure regions
G Sun, H Tanaka - Nature Communications, 2024 - nature.com
Ice nucleation is a crucial process in nature and industries; however, the role of the free
surface of water in this process remains unclear. To address this, we investigate the …
surface of water in this process remains unclear. To address this, we investigate the …
Ions and water molecules in an electrolyte solution in contact with charged and dipolar surfaces
E Gongadze, A Velikonja, Š Perutkova, P Kramar… - Electrochimica …, 2014 - Elsevier
The electrolyte-charged surface interface is described within the Langevin–Poisson–
Boltzmann (LPB) and Langevin–Bikerman models. It is shown that in the saturation regime …
Boltzmann (LPB) and Langevin–Bikerman models. It is shown that in the saturation regime …
Lipid hydration and mobility: an interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations
Fluorescence solvent relaxation experiments are based on the characterization of time-
dependent shifts in the fluorescence emission of a chromophore, yielding polarity and …
dependent shifts in the fluorescence emission of a chromophore, yielding polarity and …
Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids
Molecular dynamics simulations in the NPT ensemble have been carried out to investigate
the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in …
the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in …