A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems (Q41725777)

8 October 2017

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title

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

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8 October 2017

D P Tieleman

1

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PubMed ID

9512654

8 October 2017

S J Marrink

series ordinal

2

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PubMed ID

9512654

8 October 2017

H J Berendsen

series ordinal

3

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8 October 2017

1 November 1997

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8 October 2017

36

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Biochimica et Biophysica Acta

inferred from page(s)

published in

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8 October 2017

1331

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8 October 2017

3

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8 October 2017

235-270

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Classical electrostatics in biology and chemistry

8 October 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Simulation studies of alamethicin-bilayer interactions

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Dynamical order and disorder in lipid bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

The computer as a laboratory for the physical chemistry of membranes.

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Comparison of simple potential functions for simulating liquid water

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https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics simulation of a phospholipid membrane

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

What is the surface tension of a lipid bilayer membrane?

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal phase

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

X-ray structure determination of fully hydrated L alpha phase dipalmitoylphosphatidylcholine bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Neutron diffraction studies on phosphatidylcholine model membranes. I. Head group conformation

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Order and disorder in fully hydrated unoriented bilayers of gel-phase dipalmitoylphosphatidylcholine

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Deuterium magnetic resonance: theory and application to lipid membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Lipid conformation in model membranes and biological membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Area/lipid of bilayers from NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Head group and chain behavior in biological membranes: a molecular dynamics computer simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

A comparison of DMPC- and DLPE-based lipid bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics simulation of a hydrated phospholipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Solute diffusion in lipid bilayer membranes: an atomic level study by molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

The movement of molecules across lipid membranes: A molecular theory

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

A unique E1-E2 interaction required for optimal conjugation of the ubiquitin-like protein NEDD8

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Structure and dynamics of the dilauroylphosphatidylethanolamine lipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Cholesterol in model membranes. A molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Behavior of cholesterol and its effect on head group and chain conformations in lipid bilayers: a molecular dynamics study

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Permeability of small nonelectrolytes through lipid bilayer membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

The relationship between permeant size and permeability in lipid bilayer membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Characterization of lipid membrane dynamics by simulation: 3. Probing molecular transport across the phospholipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular distributions in interphases: statistical mechanical theory combined with molecular dynamics simulation of a model lipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Mechanism and dynamics of ion transfer across a liquid-liquid interface

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics of a water-lipid bilayer interface

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Mechanism of unassisted ion transport across membrane bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Proton transport across transient single-file water pores in a lipid membrane studied by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Interaction of small peptides with lipid bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Interaction of an amphiphilic peptide with a phospholipid bilayer surface by molecular dynamics simulation study

1 reference

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7 January 2021

Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer

1 reference

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7 January 2021

Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer

1 reference

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7 January 2021

Molecular dynamics study of phospholipase A2 on a membrane surface.

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Molecular dynamics simulation of a phospholipase A2-substrate complex

1 reference

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7 January 2021

Structure and fluctuations of bacteriorhodopsin in the purple membrane: a molecular dynamics study

1 reference

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7 January 2021

Structure of porin refined at 1.8 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

Refined structure of the porin from Rhodopseudomonas blastica. Comparison with the porin from Rhodobacter capsulatus

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

A smooth particle mesh Ewald method

1 reference

https://api.crossref.org/works/10.1016%2FS0304-4157%2897%2900008-7

7 January 2021

10.1016/S0304-4157(97)00008-7

Identifiers

DOI

1 reference

8 October 2017

1 reference

PubMed ID

9512654