Experimental validation of molecular dynamics simulations of lipid bilayers: a new approach. - Test2 - elhamkhani - TriplyDB

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

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

http://www.wikidata.org/entity/Q34189058

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Conformational study of the protegrin-1 (PG-1) dimer interaction with lipid bilayers and its effect Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering Conformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channel Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.Determining the role of missense mutations in the POU domain of HNF1A that reduce the DNA-binding affinity: A computational approach.Membrane association of the PTEN tumor suppressor: electrostatic interaction with phosphatidylserine-containing bilayers and regulatory role of the C-terminal tail.Comparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field.Simulation-based methods for interpreting x-ray data from lipid bilayers.Models of beta-amyloid ion channels in the membrane suggest that channel formation in the bilayer is a dynamic process.How to lose a kink and gain a helix: pH independent conformational changes of the fusion domains from influenza hemagglutinin in heterogeneous lipid bilayers.Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data.Structure and hydration of membranes embedded with voltage-sensing domains.Comparing membrane simulations to scattering experiments: introducing the SIMtoEXP software.A systematically coarse-grained solvent-free model for quantitative phospholipid bilayer simulations A molecular dynamics study of the response of lipid bilayers and monolayers to trehalose Closer look at structure of fully hydrated fluid phase DPPC bilayers.Acyl-chain methyl distributions of liquid-ordered and -disordered membranes Diffraction-based density restraints for membrane and membrane-peptide molecular dynamics simulations.Determination of electron density profiles and area from simulations of undulating membranes.Amino-acid solvation structure in transmembrane helices from molecular dynamics simulations.Cholesterol surrogates: a comparison of cholesterol and 16:0 ceramide in POPC bilayers Molecular Dynamics Simulations of DOPC Lipid Bilayers: The Effect of Lennard-Jones Parameters of Hydrocarbon Chains.Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension.Rotational dynamics of phospholamban determined by multifrequency electron paramagnetic resonance.Regulation of CRAC channel activity by recruitment of silent channels to a high open-probability gating mode Membrane protein insertion: the biology-physics nexus.Assembly and Stability of α-Helical Membrane Proteins.Interleaflet mixing and coupling in liquid-disordered phospholipid bilayers The effect of cholesterol on short- and long-chain monounsaturated lipid bilayers as determined by molecular dynamics simulations and X-ray scattering.Introductory lecture: basic quantities in model biomembranes.Modeling kinetics of subcellular disposition of chemicals.CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes.Models for phosphatidylglycerol lipids put to a structural test Protein contents in biological membranes can explain abnormal solvation of charged and polar residues.Divergence of Ca(2+) selectivity and equilibrium Ca(2+) blockade in a Ca(2+) release-activated Ca(2+) channel.Zooming in on disordered systems: neutron reflection studies of proteins associated with fluid membranes.Unperturbed hydrocarbon chains and liquid phase bilayer lipid chains: a computer simulation study.Substrate binding and translocation of the serotonin transporter studied by docking and molecular dynamics simulations.Characterization of 3D Voronoi tessellation nearest neighbor lipid shells provides atomistic lipid disruption profile of protein containing lipid membranes.Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments.

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P2860

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

http://www.wikidata.org/entity/Q34189058

description

2004 nî lūn-bûn

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2004 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած

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Experimental validation of mol ...... ipid bilayers: a new approach.

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Biophysical Journal

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Experimental validation of mol ...... ipid bilayers: a new approach.

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Douglas J Tobias

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Francisco Castro-Román

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Ryan W Benz

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Stephen H White

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P2860

Structure of lipid bilayers

Molecular simulation of dioleoylphosphatidylcholine lipid bilayers at differing levels of hydration.

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. II. Distribution and packing of terminal methyl groups

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

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

Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies.

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

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

Fluid bilayer structure determination by the combined use of x-ray and neutron diffraction. II. "Composition-space" refinement method

Determination of the hydrocarbon core structure of fluid dioleoylphosphocholine (DOPC) bilayers by x-ray diffraction using specific bromination of the double-bonds: effect of hydration.

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10.1529/BIOPHYSJ.104.046821

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15533925

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1305157

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