[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 …

Aqueous solutions at the interface with phospholipid bilayers

ML Berkowitz, R Vácha - Accounts of chemical research, 2012 - ACS Publications
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 …

LIPID11: a modular framework for lipid simulations using amber

ÅA Skjevik, BD Madej, RC Walker… - The Journal of Physical …, 2012 - ACS Publications
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 …

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 …

Effect of salt on phosphorylcholine-based zwitterionic polymer brushes

Z Zhang, M Moxey, A Alswieleh, AJ Morse, AL Lewis… - Langmuir, 2016 - ACS Publications
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 …

[HTML][HTML] Structure, dynamics, and hydration of POPC/POPS bilayers suspended in NaCl, KCl, and CsCl solutions

P Jurkiewicz, L Cwiklik, A Vojtíšková… - … et Biophysica Acta (BBA …, 2012 - Elsevier
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 …

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 …

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 …

Lipid hydration and mobility: an interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations

P Jurkiewicz, L Cwiklik, P Jungwirth, M Hof - Biochimie, 2012 - Elsevier
Fluorescence solvent relaxation experiments are based on the characterization of time-
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

A Benedetto, RJ Bingham, P Ballone - The Journal of chemical physics, 2015 - pubs.aip.org
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 …