Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations

Cell penetrating peptide modulation of membrane biomechanics by Molecular dynamics

(2018) Gianvito Grasso et al.   JOURNAL OF BIOMECHANICS

Accurate in silico modeling of asymmetric bilayers based on biophysical principles

(2018) Milka Doktorova et al.   BIOPHYSICAL JOURNAL

Effects of High Pressure on Phospholipid Bilayers

(2017) Wei Ding et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations

(2016) P. Siani et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Simulation of lipid bilayer self-assembly using all-atom lipid force fields

(2016) Åge A. Skjevik et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

(2015) Åge A. Skjevik et al.   CHEMICAL COMMUNICATIONS

Mechanical properties of lipid bilayers from molecular dynamics simulation

(2015) Richard M. Venable et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Effects of Lipid Composition on Bilayer Membranes Quantified by All-Atom Molecular Dynamics

(2015) Wei Ding et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Examining the Mechanical Equilibrium of Microscopic Stresses in Molecular Simulations

(2015) Alejandro Torres-Sánchez et al.   PHYSICAL REVIEW LETTERS

Ether- versus Ester-Linked Phospholipid Bilayers Containing either Linear or Branched Apolar Chains

(2014) Daniel Balleza et al.   BIOPHYSICAL JOURNAL

Area per Lipid and Cholesterol Interactions in Membranes from Separated Local-Field 13 C NMR Spectroscopy

(2014) Avigdor Leftin et al.   BIOPHYSICAL JOURNAL

Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations

(2014) Juan M. Vanegas et al.   Journal of Chemical Theory and Computation

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The Curvature Induction of Surface-Bound Antimicrobial Peptides Piscidin 1 and Piscidin 3 Varies with Lipid Chain Length

(2014) B. Scott Perrin et al.   JOURNAL OF MEMBRANE BIOLOGY

Microsecond Molecular Dynamics Simulations of Lipid Mixing

(2014) Chunkit Hong et al.   LANGMUIR

The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations

(2014) Jianjun Pan et al.   Soft Matter

Simulating the Mechanism of Antimicrobial Lipopeptides with All-Atom Molecular Dynamics

(2013) Joshua N. Horn et al.   BIOCHEMISTRY

Molecular dynamics simulation of the partitioning of benzocaine and phenytoin into a lipid bilayer

(2013) Lewis J. Martin et al.   BIOPHYSICAL CHEMISTRY

The Structural Basis of Cholesterol Accessibility in Membranes

(2013) Brett N. Olsen et al.   BIOPHYSICAL JOURNAL

APL@Voro: A Voronoi-Based Membrane Analysis Tool for GROMACS Trajectories

(2013) Gunther Lukat et al.   Journal of Chemical Information and Modeling

Comparative assessment of the ELBA coarse-grained model for water

(2013) Mario Orsi   MOLECULAR PHYSICS

Transformations in plasma membranes of cancerous cells and resulting consequences for cation insertion studied with molecular dynamics

(2013) Marco Klähn et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Measurements and Implications of the Membrane Dipole Potential

(2012) Liguo Wang   Annual Review of Biochemistry

Molecular structures of fluid phase phosphatidylglycerol bilayers as determined by small angle neutron and X-ray scattering

(2012) Jianjun Pan et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Effect of membrane tension on the physical properties of DOPC lipid bilayer membrane

(2012) A. Srinivas Reddy et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Sensing hydration and behavior of pyrene in POPC and POPC/cholesterol bilayers: A molecular dynamics study

(2012) Luís M.S. Loura et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Physical properties of mixed bilayers containing lamellar and nonlamellar lipids: insights from coarse-grain molecular dynamics simulations

(2012) Mario Orsi et al.   FARADAY DISCUSSIONS

Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study

(2012) Thomas J. Piggot et al.   Journal of Chemical Theory and Computation

Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature

(2011) Norbert Kučerka et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Lipid–protein interactions in biological membranes: A dynamic perspective

(2011) Adam W. Smith   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics

(2011) Joshua N. Horn et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Scattering Density Profile Model of POPG Bilayers As Determined by Molecular Dynamics Simulations and Small-Angle Neutron and X-ray Scattering Experiments

(2011) Norbert Kučerka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipid map of the mammalian cell

(2010) G. van Meer et al.   JOURNAL OF CELL SCIENCE

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

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse-grain modelling of DMPC and DOPC lipid bilayers

(2010) Mario Orsi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Dual-resolution molecular dynamics simulation of antimicrobials in biomembranes

(2010) M. Orsi et al.   Journal of the Royal Society Interface

Lipidomics: coming to grips with lipid diversity

(2010) Andrej Shevchenko et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Permeability of drugs and hormones through a lipid bilayer: insights from dual-resolution molecular dynamics

(2010) Mario Orsi et al.   Soft Matter

Recent development in computer simulations of lipid bilayers

(2010) Alexander P. Lyubartsev et al.   Soft Matter

Formation of supported bacterial lipid membrane mimics

(2009) Christoph Merz et al.   Biointerphases

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

Effect of headgroup on the dipole potential of phospholipid vesicles

(2009) Thomas Starke-Peterkovic et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Binding free energy and counterion release for adsorption of the antimicrobial peptide lactoferricin B on a POPG membrane

(2009) Igor S. Tolokh et al.   PHYSICAL REVIEW E

3D Pressure Field in Lipid Membranes and Membrane-Protein Complexes

(2009) O. H. Samuli Ollila et al.   PHYSICAL REVIEW LETTERS

Effect of cholesterol on the structure of a phospholipid bilayer

(2009) F. de Meyer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Order Parameters and Areas in Fluid-Phase Oriented Lipid Membranes Using Wide Angle X-Ray Scattering

(2008) Thalia T. Mills et al.   BIOPHYSICAL JOURNAL

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Transdermal drug delivery

(2008) Mark R Prausnitz et al.   NATURE BIOTECHNOLOGY

Membrane lipids: where they are and how they behave

(2008) Gerrit van Meer et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Selective cancer cell cytotoxicity of enantiomeric 9-mer peptides derived from beetle defensins depends on negatively charged phosphatidylserine on the cell surface

(2008) Takashi Iwasaki et al.   PEPTIDES

Studies on anticancer activities of antimicrobial peptides

(2007) David W. Hoskin et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES