(Q36863628)

English

Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments

scientific article published on 28 June 2007

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scholarly article

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Europe PubMed Central

16 August 2017

1 reference

Europe PubMed Central

Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments (English)

1 reference

Europe PubMed Central

16 August 2017

phospholipid bilayer

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Louic S Vermeer

object named as

Louic S Vermeer

1

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object named as

Alain Milon

4

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author name string

Bert L de Groot

2

1 reference

Europe PubMed Central

16 August 2017

Valérie Réat

3

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Europe PubMed Central

16 August 2017

Jerzy Czaplicki

5

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Europe PubMed Central

16 August 2017

language of work or name

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publication date

28 June 2007

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Europe PubMed Central

16 August 2017

European Biophysics Journal

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Europe PubMed Central

16 August 2017

36

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Europe PubMed Central

16 August 2017

8

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Europe PubMed Central

16 August 2017

919-931

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Europe PubMed Central

16 August 2017

https://scigraph.springernature.com/pub.10.1007/s00249-007-0192-9

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GROMACS 3.0: a package for molecular simulation and trajectory analysis

1 reference

https://api.crossref.org/works/10.1007%2FS00249-007-0192-9

21 January 2018

The protein-lipid interface: perspectives from magnetic resonance and crystal structures

1 reference

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21 January 2018

Structure of lipid bilayers

1 reference

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21 January 2018

Giant vesicles as an efficient intermediate for 2H NMR analyses of proteoliposomes in water suspension and in oriented lipid bilayers

1 reference

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21 January 2018

A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems

1 reference

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21 January 2018

Simulation approaches to ion channel structure-function relationships

1 reference

https://api.crossref.org/works/10.1007%2FS00249-007-0192-9

21 January 2018

Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl.

1 reference

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12 December 2020

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Cholesterol orientation and dynamics in dimyristoylphosphatidylcholine bilayers: a solid state deuterium NMR analysis

1 reference

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12 December 2020

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Molecular motion and order in single-bilayer vesicles and multilamellar dispersions of egg lecithin and lecithin-cholesterol mixtures. A deuterium nuclear magnetic resonance study of specifically labeled lipids

1 reference

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Nuclear Overhauser enhancement spectroscopy cross-relaxation rates and ethanol distribution across membranes

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Electrostatics calculations: recent methodological advances and applications to membranes

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12 December 2020

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Molecular simulation study on the influence of dimethylsulfoxide on the structure of phospholipid bilayers

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Modeling the lipid component of membranes

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12 December 2020

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Cholesterol effects on a mixed-chain phosphatidylcholine bilayer: a molecular dynamics simulation study

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations.

1 reference

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12 December 2020

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Lessons of slicing membranes: interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers

1 reference

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Model of an asymmetric DPPC/DPPS membrane: effect of asymmetry on the lipid properties. A molecular dynamics simulation study

1 reference

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12 December 2020

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Molecular dynamics generation of nonarbitrary membrane models reveals lipid orientational correlations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Mixed monolayers of phospholipids and cholesterol

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Restatement of order parameters in biomembranes: calculation of C-C bond order parameters from C-D quadrupolar splittings

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Molecular dynamics simulations of phospholipid bilayers with cholesterol

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Comparative molecular dynamics study of lipid membranes containing cholesterol and ergosterol

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Experimental validation of molecular dynamics simulations of lipid bilayers: a new approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Area per lipid and acyl length distributions in fluid phosphatidylcholines determined by (2)H NMR spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Lipids do influence protein function-the hydrophobic matching hypothesis revisited

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Effect of sodium chloride on a lipid bilayer

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Computer simulations of membrane proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Changes in molecular order across the lamellar-to-inverted hexagonal phase transition depend on the position of the double-bond in mono-unsaturated phospholipid dispersions.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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How lipids and proteins interact in a membrane: a molecular approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Rapid deconvolution of NMR powder spectra by weighted fast Fourier transformation

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Partial molecular volumes of lipids and cholesterol.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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How lipids affect the activities of integral membrane proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Modulation of the orientational order profile of the lipid acyl chain in the L alpha phase

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Lipid modifications of a Ras peptide exhibit altered packing and mobility versus host membrane as detected by 2H solid-state NMR.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Interaction of the antimicrobial peptide cyclo(RRWWRF) with membranes by molecular dynamics simulations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Model for the structure of the lipid bilayer

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Simulations of a membrane-anchored peptide: structure, dynamics, and influence on bilayer properties.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Molecular dynamics simulation of DPPC bilayer in DMSO

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Aqueous solutions next to phospholipid membrane surfaces: insights from simulations.

1 reference

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The dynamic structure of fatty acyl chains in a phospholipid bilayer measured by deuterium magnetic resonance

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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What's so special about cholesterol?

1 reference

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12 December 2020

based on heuristic

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Areas of molecules in membranes consisting of mixtures

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular Simulation Study of Phospholipid Bilayers and Insights of the Interactions with Disaccharides

1 reference

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12 December 2020

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Constructing the suitable initial configuration of the membrane-protein system in molecular dynamics simulations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Deuterium magnetic resonance: theory and application to lipid membranes

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Universal behavior of membranes with sterols.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Lipid interactions with transmembrane proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulations of unsaturated lipid bilayers: effects of varying the numbers of double bonds

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Lipid-binding proteins: structure of the phospholipid ligands

1 reference

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12 December 2020

based on heuristic

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Effect of salt on the interactions of antimicrobial peptides with zwitterionic lipid bilayers.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Changes in phosphatidylcholine headgroup tilt and water order induced by monovalent salts: molecular dynamics simulations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Understanding sterol-membrane interactions, part II: complete 1H and 13C assignments by solid-state NMR spectroscopy and determination of the hydrogen-bonding partners of cholesterol in a lipid bilayer

1 reference

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12 December 2020

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GROMACS: fast, flexible, and free

1 reference

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12 December 2020

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Deuteron resonance: A novel approach to the study of hydrocarbon chain mobility in membrane systems

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Investigating structural changes in the lipid bilayer upon insertion of the transmembrane domain of the membrane-bound protein phospholamban utilizing 31P and 2H solid-state NMR spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Distribution of halothane in a dipalmitoylphosphatidylcholine bilayer from molecular dynamics calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Smoothed orientational order profile of lipid bilayers by 2H-nuclear magnetic resonance

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Investigation of finite system-size effects in molecular dynamics simulations of lipid bilayers

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulations of lipid bilayers

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Advances in biomolecular simulations: methodology and recent applications

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular simulation study of structural and dynamic properties of mixed DPPC/DPPE bilayers

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulations and 2H NMR study of the GalCer/DPPG lipid bilayer

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Analysis of simulated NMR order parameters for lipid bilayer structure determination

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cholesterol interactions with phospholipids in membranes

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation time

1 reference

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12 December 2020

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Physical properties of the fluid lipid-bilayer component of cell membranes: a perspective

1 reference

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12 December 2020

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Molecular dynamics simulation of a phospholipid membrane

1 reference

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12 December 2020

based on heuristic

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Molecular dynamics simulations of lipid bilayers: major artifacts due to truncating electrostatic interactions.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

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Molecular dynamics investigation of the structural properties of phosphatidylethanolamine lipid bilayers

1 reference

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12 December 2020

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New insights into water-phospholipid model membrane interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulation studies of lipid bilayer systems.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics simulation of a dipalmitoylphosphatidylcholine bilayer with NaCl

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A molecular dynamics investigation of the influence of hydration and temperature on structural and dynamical properties of a dimyristoylphosphatidylcholine bilayer

1 reference

https://pubmed.ncbi.nlm.nih.gov/17598103

12 December 2020

based on heuristic

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Dynamics in atomistic simulations of phospholipid membranes: Nuclear magnetic resonance relaxation rates and lateral diffusion

1 reference

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12 December 2020

based on heuristic

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Molecular dynamics simulations of model trans-membrane peptides in lipid bilayers: a systematic investigation of hydrophobic mismatch

1 reference

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12 December 2020

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Under the influence of alcohol: the effect of ethanol and methanol on lipid bilayers

1 reference

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12 December 2020

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Identifiers

10.1007/S00249-007-0192-9

1 reference

Europe PubMed Central

16 August 2017

1 reference

Europe PubMed Central

16 August 2017

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