Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers

Structure and dynamics of the aliphatic cholesterol side chain in membranes as studied by 2H NMR spectroscopy and molecular dynamics simulation

(2016) Alexander Vogel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer

(2015) Kiyoshi Yagi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2014) Richard M. Venable et al.   BIOPHYSICAL JOURNAL

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

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

Structural Heterogeneity in Transmembrane Amyloid Precursor Protein Homodimer Is a Consequence of Environmental Selection

(2014) Laura Dominguez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Fluctuations and micro-heterogeneity in mixtures of complex liquids

(2013) Aurélien Perera et al.   FARADAY DISCUSSIONS

Predictions of Phase Separation in Three-Component Lipid Membranes by the MARTINI Force Field

(2013) Ryan S. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cholesterol as a co-solvent and a ligand for membrane proteins

(2013) Yuanli Song et al.   PROTEIN SCIENCE

How cholesterol interacts with membrane proteins: an exploration of cholesterol-binding sites including CRAC, CARC, and tilted domains

(2013) Jacques Fantini et al.   Frontiers in Physiology

Comprehensive Molecular Motion Capture for Sphingomyelin by Site-Specific Deuterium Labeling

(2012) Nobuaki Matsumori et al.   BIOCHEMISTRY

Does cholesterol suppress the antimicrobial peptide induced disruption of lipid raft containing membranes?

(2012) Austin J. McHenry et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Cholesterol and POPC segmental order parameters in lipid membranes: solid state1H–13C NMR and MD simulation studies

(2012) Tiago Mendes Ferreira et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lipid Membranes with a Majority of Cholesterol: Applications to the Ocular Lens and Aquaporin 0

(2011) Joseph W. O’Connor et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Update of the Cholesterol Force Field Parameters in CHARMM

(2011) Joseph B. Lim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Phase Separation in Lipid Membranes

(2011) F. A. Heberle et al.   Cold Spring Harbor Perspectives in Biology

Interaction of hIAPP with Model Raft Membranes and Pancreatic β-Cells: Cytotoxicity of hIAPP Oligomers

(2010) Katrin Weise et al.   CHEMBIOCHEM

Cholesterol Orientation and Tilt Modulus in DMPC Bilayers

(2010) George Khelashvili et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Cholesterol Induces Specific Spatial and Orientational Order in Cholesterol/Phospholipid Membranes

(2010) Hector Martinez-Seara et al.   PLoS One

Instability of Cholesterol Clusters in Lipid Bilayers and The Cholesterol’s Umbrella Effect

(2009) Jian Dai et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

(2008) Siewert J. Marrink et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Detailed molecular dynamics simulations of model biological membranes containing cholesterol

(2008) Max L. Berkowitz   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

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

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

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation