Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers

The Alzheimer's disease‐associated C99 fragment of APP regulates cellular cholesterol trafficking

(2020) Jorge Montesinos et al.   EMBO JOURNAL

Computational Modeling of Realistic Cell Membranes

(2019) Siewert J. Marrink et al.   CHEMICAL REVIEWS

Influenza A M2 Channel Clustering at High Protein/Lipid Ratios: Viral Budding Implications

(2019) Joana Paulino et al.   BIOPHYSICAL JOURNAL

Quantitative Characterization of Cholesterol Partitioning between Binary Bilayers

(2018) Soohyung Park et al.   Journal of Chemical Theory and Computation

Solid-State NMR of highly 13 C-enriched cholesterol in lipid bilayers

(2018) Lisa A. Della Ripa et al.   METHODS

Regimes of Complex Lipid Bilayer Phases Induced by Cholesterol Concentration in MD Simulation

(2018) George A. Pantelopulos et al.   BIOPHYSICAL JOURNAL

Spatially Resolving the Condensing Effect of Cholesterol in Lipid Bilayers

(2018) Felix Leeb et al.   BIOPHYSICAL JOURNAL

Determining Cholesterol Binding to Membrane Proteins by Cholesterol 13C Labeling in Yeast and Dynamic Nuclear Polarization NMR

(2018) Matthew R. Elkins et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures

(2017) George A. Pantelopulos et al.   JOURNAL OF CHEMICAL PHYSICS

Cholesterol-binding site of the influenza M2 protein in lipid bilayers from solid-state NMR

(2017) Matthew R. Elkins et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cholesterol-mediated allosteric regulation of the mitochondrial translocator protein structure

(2017) Garima Jaipuria et al.   Nature Communications

Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions

(2016) Ignacio Soteras Gutiérrez et al.   BIOORGANIC & MEDICINAL CHEMISTRY

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

(2016) Asanga Bandara et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM-GUI 10 years for biomolecular modeling and simulation

(2016) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Specific Binding of Cholesterol to C99 Domain of Amyloid Precursor Protein Depends Critically on Charge State of Protein

(2016) Afra Panahi et al.   Journal of Physical Chemistry Letters

Dynamic Cholesterol-Conditioned Dimerization of the G Protein Coupled Chemokine Receptor Type 4

(2016) Kristyna Pluhackova et al.   PLoS Computational Biology

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

(2015) Alexander J. Sodt et al.   BIOPHYSICAL JOURNAL

Structure and Mechanism of the Influenza A M218–60 Dimer of Dimers

(2015) Loren B. Andreas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural insights into µ-opioid receptor activation

(2015) Weijiao Huang et al.   NATURE

Cholesterol Modulates the Dimer Interface of the β2-Adrenergic Receptor via Cholesterol Occupancy Sites

(2014) Xavier Prasanna et al.   BIOPHYSICAL JOURNAL

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

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

Impact of Bilayer Lipid Composition on the Structure and Topology of the Transmembrane Amyloid Precursor C99 Protein

(2014) Yuanli Song et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure of Cholesterol in Lipid Rafts

(2014) Laura Toppozini et al.   PHYSICAL REVIEW LETTERS

Cholesterol binding to ion channels

(2014) Irena Levitan et al.   Frontiers in Physiology

Competition Between Homodimerization and Cholesterol Binding to the C99 Domain of the Amyloid Precursor Protein

(2013) Yuanli Song et al.   BIOCHEMISTRY

Broadband homonuclear correlation spectroscopy driven by combined R2nv sequences under fast magic angle spinning for NMR structural analysis of organic and biological solids

(2013) Guangjin Hou et al.   JOURNAL OF MAGNETIC RESONANCE

Influenza Virus A M2 Protein Generates Negative Gaussian Membrane Curvature Necessary for Budding and Scission

(2013) Nathan W. Schmidt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2013) Alexander J. Sodt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Quantitative analysis of the lipidomes of the influenza virus envelope and MDCK cell apical membrane

(2012) Mathias J. Gerl et al.   JOURNAL OF CELL BIOLOGY

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations

(2012) Wenbo Yu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fusion Activity of HIV gp41 Fusion Domain Is Related to Its Secondary Structure and Depth of Membrane Insertion in a Cholesterol-Dependent Fashion

(2012) Alex L. Lai et al.   JOURNAL OF MOLECULAR BIOLOGY

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist

(2012) Aashish Manglik et al.   NATURE

The Amyloid Precursor Protein Has a Flexible Transmembrane Domain and Binds Cholesterol

(2012) P. J. Barrett et al.   SCIENCE

Lipid Rafts and Alzheimer’s Disease: Protein-Lipid Interactions and Perturbation of Signaling

(2012) David A. Hicks et al.   Frontiers in Physiology

Uncovering the intimate relationship between lipids, cholesterol and GPCR activation

(2011) Joanne Oates et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

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

An efficient method for the production of isotopically enriched cholesterol for NMR

(2011) Rupali Shivapurkar et al.   JOURNAL OF LIPID RESEARCH

Update of the Cholesterol Force Field Parameters in CHARMM

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

Membrane-Dependent Effects of a Cytoplasmic Helix on the Structure and Drug Binding of the Influenza Virus M2 Protein

(2011) Sarah Cady et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A stable yeast strain efficiently producing cholesterol instead of ergosterol is functional for tryptophan uptake, but not weak organic acid resistance

(2011) Cleiton M. Souza et al.   METABOLIC ENGINEERING

Liquid-ordered phases induced by cholesterol: A compendium of binary phase diagrams

(2010) Derek Marsh   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Influenza Virus M2 Protein Mediates ESCRT-Independent Membrane Scission

(2010) Jeremy S. Rossman et al.   CELL

A Molecular View of the Cholesterol Condensing Effect in DOPC Lipid Bilayers

(2010) Mohammad Alwarawrah 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

Crowding and hydrodynamic interactions likely dominate in vivo macromolecular motion

(2010) T. Ando et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lipid Rafts As a Membrane-Organizing Principle

(2010) D. Lingwood et al.   SCIENCE

Immobilization of the Influenza A M2 Transmembrane Peptide in Virus Envelope−Mimetic Lipid Membranes: A Solid-State NMR Investigation

(2009) Wenbin Luo et al.   BIOCHEMISTRY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

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

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

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

Raftlike Mixtures of Sphingomyelin and Cholesterol Investigated by Solid-State2H NMR Spectroscopy

(2008) Tim Bartels et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane lipids: where they are and how they behave

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

A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor

(2008) Michael A. Hanson et al.   STRUCTURE

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

(2007) Berk Hess   Journal of Chemical Theory and Computation