Comparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field.

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Comparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/JP401718K
P932PMC publication ID3673311
P698PubMed publication ID23560979

P50authorJohn NagleQ22678735
P2093author name stringJonathan N Sachs
Anthony R Braun
P2860cites workEffect of chain length and unsaturation on elasticity of lipid bilayersQ24537369
Structure of lipid bilayersQ24650796
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationQ27860944
GROMACS: fast, flexible, and freeQ27860998
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid typesQ29616710
The MARTINI force field: coarse grained model for biomolecular simulationsQ29617215
An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes.Q30381649
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. II. Distribution and packing of terminal methyl groupsQ30968823
Simulation-based methods for interpreting x-ray data from lipid bilayersQ31030948
Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data.Q31156541
MDAnalysis: a toolkit for the analysis of molecular dynamics simulationsQ33875319
Comparing membrane simulations to scattering experiments: introducing the SIMtoEXP softwareQ33876328
Determination of component volumes of lipid bilayers from simulationsQ33915455
Structure and interactions of fully hydrated dioleoylphosphatidylcholine bilayers.Q34168695
Interpretation of fluctuation spectra in lipid bilayer simulationsQ34182152
Experimental validation of molecular dynamics simulations of lipid bilayers: a new approachQ34189058
Determination of electron density profiles and area from simulations of undulating membranes.Q35144656
Structure and elasticity of lipid membranes with genistein and daidzein bioflavinoids using X-ray scattering and MD simulations.Q35873944
Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipidsQ35873948
Temperature dependence of structure, bending rigidity, and bilayer interactions of dioleoylphosphatidylcholine bilayersQ36259570
The effect of cholesterol on short- and long-chain monounsaturated lipid bilayers as determined by molecular dynamics simulations and X-ray scattering.Q36856412
Introductory lecture: basic quantities in model biomembranes.Q36990385
Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.Q37219599
Areas of monounsaturated diacylphosphatidylcholinesQ37373442
Effect of cholesterol on structural and mechanical properties of membranes depends on lipid chain saturationQ37374180
Diffuse scattering provides material parameters and electron density profiles of biomembranes.Q37387016
Back to the future: mechanics and thermodynamics of lipid biomembranesQ39395675
Relations for lipid bilayers. Connection of electron density profiles to other structural quantitiesQ41193881
Structure of the fully hydrated gel phase of dipalmitoylphosphatidylcholineQ41193924
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperatureQ41775672
Undulation contributions to the area compressibility in lipid bilayer simulationsQ41978146
A new force field for simulating phosphatidylcholine bilayersQ43261837
Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation timeQ47329265
Interpretation of small angle X-ray measurements guided by molecular dynamics simulations of lipid bilayersQ47379309
The MARTINI Coarse-Grained Force Field: Extension to Proteins.Q47741405
An improved united atom force field for simulation of mixed lipid bilayers.Q51798189
P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation.Q51897570
Structure of fully hydrated bilayer dispersions.Q52560069
Improving the CHARMM force field for polyunsaturated fatty acid chains.Q53371870
Update of the cholesterol force field parameters in CHARMM.Q53395896
Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chainsQ83129856
United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force FieldQ86813201
On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with ExperimentQ86822781
P433issue17
P407language of work or nameEnglishQ1860
P921main subjectforce fieldQ1341441
P304page(s)5065-5072
P577publication date2013-04-22
P1433published inJournal of Physical Chemistry BQ668669
P1476titleComparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field
P478volume117

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cites work (P2860)
Q51578213A computer simulation approach to quantify the true area and true area compressibility modulus of biological membranes.
Q42545979Determining Structural and Mechanical Properties from Molecular Dynamics Simulations of Lipid Vesicles
Q30362297Lipid14: The Amber Lipid Force Field.
Q92142213Revisiting Volumes of Lipid Components in Bilayers
Q50675197Structural Elucidation of β-Lactam Diastereoisomers through Ion Mobility Mass Spectrometry Studies and Theoretical Calculations.
Q26781507Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering
Q42182958The Role of Cholesterol in Driving IAPP-Membrane Interactions.
Q34353592What are the true values of the bending modulus of simple lipid bilayers?

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