Atomic detail peptide-membrane interactions: molecular dynamics simulation of gramicidin S in a DMPC bilayer (Q30616227)

18 September 2017

Atomic detail peptide-membrane interactions: molecular dynamics simulation of gramicidin S in a DMPC bilayer (English)

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molecular dynamics simulation

18 September 2017

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author name string

Mihailescu D

series ordinal

1

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18 September 2017

Smith JC

series ordinal

2

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18 September 2017

language of work or name

English

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publication date

1 October 2000

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18 September 2017

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18 September 2017

79

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18 September 2017

4

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18 September 2017

1718-1730

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The structure, dynamics and orientation of antimicrobial peptides in membranes by multidimensional solid-state NMR spectroscopy

18 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Interaction of phloretin with lipid monolayers: relationship between structural changes and dipole potential change

20 June 2018

1 reference

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Effect of gramicidin A on the dipole potential of phospholipid membranes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Dynamical properties of phospholipid bilayers from computer simulation.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Simulation study of a gramicidin/lipid bilayer system in excess water and lipid. I. Structure of the molecular complex

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Fluid phase structure of EPC and DMPC bilayers

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Molecular dynamics simulations of individual alpha-helices of bacteriorhodopsin in dimyristoylphosphatidylcholine. II. Interaction energy analysis

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Membrane lateral compressibility determined by NMR and x-ray diffraction: effect of acyl chain polyunsaturation

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Nonlamellar phases induced by the interaction of gramicidin S with lipid bilayers. A possible relationship to membrane-disrupting activity.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

What is the surface tension of a lipid bilayer membrane?

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Dipole potential of lipid membranes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Membrane hydration and structure on a subnanometer scale as seen by high resolution solid state nuclear magnetic resonance: POPC and POPC/C12EO4 model membranes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

A variable target intensity-restrained global optimization (VARTIGO) procedure for determining three-dimensional structures of polypeptides from NOESY data: application to gramicidin-S.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

The interpretation of protein structures: Estimation of static accessibility

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

A conformational analysis of gramicidin S-A by nuclear magnetic resonance

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Spin-label studies of the excitable membranes of nerve and muscle

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Mechanism of membrane damage induced by the amphipathic peptides gramicidin S and melittin

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

NMR study of the interactions of polymyxin B, gramicidin S, and valinomycin with dimyristoyllecithin bilayers

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Magic-angle spinning NMR studies of molecular organization in multibilayers formed by 1-octadecanoyl-2-decanoyl-sn-glycero-3-phosphocholine.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Deuterium magnetic resonance: theory and application to lipid membranes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

The quantitation of nuclear Overhauser effect methods for total conformational analysis of peptides in solution. Application to gramicidin S.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Lateral diffusion of a hydrophobic peptide, N4-nitrobenz-2-oxa-1,3-diazole gramicidin S, in phospholipid multibilayers

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301066

Conformation of gramicidin S in solution

20 June 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Deuterium nuclear magnetic resonance investigation of the exchangeable sites on gramicidin A and gramicidin S in multilamellar vesicles of dipalmitoylphosphatidylcholine

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Gramicidin S analogs with a D-Ala, Gly, or L-Ala residue in place of the D-Phe residue: molecular conformations and interactions with phospholipid membrane

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Comparison of simple potential functions for simulating liquid water

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Structure-activity relationship of gramicidin S analogues on membrane permeability

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

All-atom empirical potential for molecular modeling and dynamics studies of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Interaction of antibiotics with membranes: polymyxin B and gramicidin S

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Transport of oppositely charged lipophilic probe ions in lipid bilayer membranes having various structures

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

Leakage of internal markers from erythrocytes and lipid vesicles induced by melittin, gramicidin S and alamethicin: a comparative study

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976424-1

10.1016/S0006-3495(00)76424-1

7 January 2021

Identifiers

DOI

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18 September 2017

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18 September 2017

PubMed publication ID

11023880

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