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Hexagonal Substructure and Hydrogen Bonding in Liquid-Ordered Phases Containing Palmitoyl Sphingomyelin

Biophysical journal, 2015-09, Vol.109 (5), p.948-955

2015

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Mechanical properties of lipid bilayers from molecular dynamics simulation

Chemistry and physics of lipids, 2015-11, Vol.192, p.60-74

2015

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CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature

Biophysical journal, 2014-07, Vol.107 (1), p.134-145

2014

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Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

The journal of physical chemistry. B, 2010-06, Vol.114 (23), p.7830-7843

2010

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Permeability of membranes in the liquid ordered and liquid disordered phases

Nature communications, 2019-12, Vol.10 (1), p.5616-12, Article 5616

2019

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The Molecular Structure of the Liquid-Ordered Phase of Lipid Bilayers

Journal of the American Chemical Society, 2014-01, Vol.136 (2), p.725-732

2014

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Simulations of Anionic Lipid Membranes: Development of Interaction-Specific Ion Parameters and Validation Using NMR Data

The journal of physical chemistry. B, 2013-09, Vol.117 (35), p.10183-10192

2013

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Bending Free Energy from Simulation: Correspondence of Planar and Inverse Hexagonal Lipid Phases

Biophysical journal, 2013-05, Vol.104 (10), p.2202-2211

2013

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CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

Journal of chemical theory and computation, 2009-08, Vol.5 (9), p.2353-2370

2009

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Molecular Modeling of Lipid Membrane Curvature Induction by a Peptide: More than Simply Shape

Biophysical journal, 2014-05, Vol.106 (9), p.1958-1969

2014

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Surface Shear Viscosity and Interleaflet Friction from Nonequilibrium Simulations of Lipid Bilayers

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6471-6481

2019

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Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol: Hydrodynamic Radius and Shape Anisotropy

Biophysical journal, 2008-08, Vol.95 (4), p.1590-1599

2008

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Influence of Hydrophobic Mismatch on Structures and Dynamics of Gramicidin A and Lipid Bilayers

Biophysical journal, 2012-04, Vol.102 (7), p.1551-1560

2012

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Additive empirical force field for hexopyranose monosaccharides

Journal of computational chemistry, 2008-11, Vol.29 (15), p.2543-2564

2008

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Simulations of Membrane-Disrupting Peptides I: Alamethicin Pore Stability and Spontaneous Insertion

Biophysical journal, 2016-09, Vol.111 (6), p.1248-1257

2016

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Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1562-1580

2021

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Simulations of Membrane-Disrupting Peptides II: AMP Piscidin 1 Favors Surface Defects over Pores

Biophysical journal, 2016-09, Vol.111 (6), p.1258-1266

2016

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Lipid and Peptide Diffusion in Bilayers: The Saffman-Delbrück Model and Periodic Boundary Conditions

The journal of physical chemistry. B, 2017-04, Vol.121 (15), p.3443-3457

2017

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PLD2–PI(4,5)P2 interactions in fluid phase membranes: Structural modeling and molecular dynamics simulations

PloS one, 2020-07, Vol.15 (7), p.e0236201-e0236201

2020

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Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations

Journal of the American Chemical Society, 2014-10, Vol.136 (39), p.13582-13585

2014

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Planar aggregation of the influenza viral fusion peptide alters membrane structure and hydration, promoting poration

Nature communications, 2022-12, Vol.13 (1), p.7336-7336, Article 7336

2022

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Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model

Journal of chemical theory and computation, 2018-07, Vol.14 (7), p.3811-3824

2018

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Depth of α-Synuclein in a Bilayer Determined by Fluorescence, Neutron Reflectometry, and Computation

Biophysical journal, 2012-02, Vol.102 (3), p.613-621

2012

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Strong influence of periodic boundary conditions on lateral diffusion in lipid bilayer membranes

The Journal of chemical physics, 2015-12, Vol.143 (24), p.243113-243113

2015

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Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen Lysozyme

Biophysical journal, 2006-02, Vol.90 (4), p.L36-L38

2006

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Hexagonal Substructure and Hydrogen Bonding in Liquid-Ordered Phases Containing Palmitoyl Sphingomyelin

Mechanical properties of lipid bilayers from molecular dynamics simulation

CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Permeability of membranes in the liquid ordered and liquid disordered phases

The Molecular Structure of the Liquid-Ordered Phase of Lipid Bilayers

Simulations of Anionic Lipid Membranes: Development of Interaction-Specific Ion Parameters and Validation Using NMR Data

Bending Free Energy from Simulation: Correspondence of Planar and Inverse Hexagonal Lipid Phases

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

Molecular Modeling of Lipid Membrane Curvature Induction by a Peptide: More than Simply Shape

Surface Shear Viscosity and Interleaflet Friction from Nonequilibrium Simulations of Lipid Bilayers

Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol: Hydrodynamic Radius and Shape Anisotropy

Influence of Hydrophobic Mismatch on Structures and Dynamics of Gramicidin A and Lipid Bilayers

Additive empirical force field for hexopyranose monosaccharides

Simulations of Membrane-Disrupting Peptides I: Alamethicin Pore Stability and Spontaneous Insertion

Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Simulations of Membrane-Disrupting Peptides II: AMP Piscidin 1 Favors Surface Defects over Pores

Lipid and Peptide Diffusion in Bilayers: The Saffman-Delbrück Model and Periodic Boundary Conditions

PLD2–PI(4,5)P2 interactions in fluid phase membranes: Structural modeling and molecular dynamics simulations

Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations

Planar aggregation of the influenza viral fusion peptide alters membrane structure and hydration, promoting poration

Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model

Depth of α-Synuclein in a Bilayer Determined by Fluorescence, Neutron Reflectometry, and Computation

Strong influence of periodic boundary conditions on lateral diffusion in lipid bilayer membranes

Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen Lysozyme

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