Transmembrane helix structure, dynamics, and interactions: multi-nanosecond molecular dynamics simulations (Q42928688)

11 November 2017

Transmembrane helix structure, dynamics, and interactions: multi-nanosecond molecular dynamics simulations (English)

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11 November 2017

transmembrane protein

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author

Donna Bassolino-Klimas

series ordinal

object named as

Bassolino D

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11 November 2017

Shen L

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11 November 2017

Stouch T

series ordinal

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11 November 2017

language of work or name

English

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publication date

1 July 1997

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11 November 2017

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inferred from page(s)

published in

Biophysical Journal

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11 November 2017

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11 November 2017

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11 November 2017

3-20

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Molecular dynamics of a water-lipid bilayer interface

11 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Insertion of peptide chains into lipid membranes: an off-lattice Monte Carlo dynamics model

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Experimental molecular dynamics of an alanine-based helical peptide determined by spin label electron spin resonance

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Area/lipid of bilayers from NMR.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Molecular dynamics simulation of a hydrated phospholipid bilayer

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Lateral diffusion in membranes

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structural fluctuations of a helical polypeptide traversing a lipid bilayer

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

The effects of truncating long-range forces on protein dynamics.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Monte Carlo studies of lipid chains and gramicidin A in a model membrane

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Induction of non-bilayer lipid structures by functional signal peptides

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Transbilayer distribution of bromine in fluid bilayers containing a specifically brominated analogue of dioleoylphosphatidylcholine

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Collective vibrations of an alpha-helix. A molecular dynamics study

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Monte Carlo simulation studies of lipid order parameter profiles near integral membrane proteins

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Model for the structure of the lipid bilayer

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. I. Scaling of neutron data and the distributions of double bonds and water

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

A molecular dynamics simulation of polyalanine: an analysis of equilibrium motions and helix-coil transitions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Microscopic versus macroscopic diffusion in one-component fluid phase lipid bilayer membranes

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Membrane dipole potentials, hydration forces, and the ordering of water at membrane surfaces

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Molecular dynamics simulations of helix denaturation

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structure and dynamics of the dilauroylphosphatidylethanolamine lipid bilayer

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Taming cut-off induced artifacts in molecular dynamics studies of solvated polypeptides. The reaction field method.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structure of porin refined at 1.8 A resolution

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Gramicidin and gramicidin-lipid interactions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Effect of a single cis double bond on the structures of a phospholipid bilayer

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Analysis of circular dichroism spectra of oriented protein-lipid complexes: toward a general application.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

Molecular dynamics simulations of phospholipid bilayers.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1180903

A measure of helical propensity for amino acids in membrane environments

16 August 2018

1 reference

12 December 2020

Structure and dynamics of the acyl chain of a transmembrane polypeptide

1 reference

12 December 2020

Sequence and structure of the membrane-associated peptide of glycophorin A

1 reference

12 December 2020

Peptide models of helical hydrophobic transmembrane segments of membrane proteins. 1. Studies of the conformation, intrabilayer orientation, and amide hydrogen exchangeability of Ac-K2-(LA)12-K2-amide

1 reference

12 December 2020

Peptide models of helical hydrophobic transmembrane segments of membrane proteins. 2. Differential scanning calorimetric and FTIR spectroscopic studies of the interaction of Ac-K2-(LA)12-K2-amide with phosphatidylcholine bilayers

1 reference

12 December 2020

The effect of environment on the stability of an integral membrane helix: Molecular dynamics simulations of surfactant protein C in chloroform, methanol and water

1 reference

12 December 2020

Orientation and flexibility of the choline head group in phosphatidylcholine bilayers

1 reference

12 December 2020

The headgroup conformation of phospholipids in membranes

1 reference

12 December 2020

Monte Carlo calculations of order parameter profiles in models of lipid-protein interactions in bilayers

1 reference

12 December 2020

Lipid bilayer polypeptide interactions studied by molecular dynamics simulation

1 reference

12 December 2020

Tryptophan dynamics and structural refinement in a lipid bilayer environment: solid state NMR of the gramicidin channel

1 reference

12 December 2020

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

1 reference

12 December 2020

Conformational transition of an alpha-helix studied by molecular dynamics

1 reference

12 December 2020

Computer simulation of lipid diffusion in a two-component bilayer. The effect of adsorbing macromolecules

1 reference

12 December 2020

Molecular dynamics simulation of the stability of a 22-residue alpha-helix in water and 30% trifluoroethanol

1 reference

12 December 2020

Electrostatic and nonpolar peptide-membrane interactions. Lipid binding and functional properties of somatostatin analogues of charge z = +1 to z = +3

1 reference

12 December 2020

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

1 reference

12 December 2020

10.1016/S0006-3495(97)78042-1

Identifiers

DOI

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11 November 2017

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11 November 2017

PubMed publication ID

9199766

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