Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution

Mechanism of Drug–Drug Interactions Mediated by Human Cytochrome P450 CYP3A4 Monomer

(2015) Ilia G. Denisov et al.   BIOCHEMISTRY

Molecular Model of Hemoglobin N from Mycobacterium tuberculosis Bound to Lipid Bilayers: A Combined Spectroscopic and Computational Study

(2015) Jean-François Rhéault et al.   BIOCHEMISTRY

Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data

(2015) Joseph C. Fogarty et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

α-Synuclein Reduces Tension and Increases Undulations in Simulations of Small Unilamellar Vesicles

(2015) Anthony R. Braun et al.   BIOPHYSICAL JOURNAL

Conformational heterogeneity of α -synuclein in membrane

(2014) Josh V. Vermaas et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Synaptotagmin’s Role in Neurotransmitter Release Likely Involves Ca 2+ -induced Conformational Transition

(2014) Zhe Wu et al.   BIOPHYSICAL JOURNAL

Membrane-Induced Structural Rearrangement and Identification of a Novel Membrane Anchor in Talin F2F3

(2014) Mark J. Arcario et al.   BIOPHYSICAL JOURNAL

A Highly Tilted Membrane Configuration for the Prefusion State of Synaptobrevin

(2014) Andrew E. Blanchard et al.   BIOPHYSICAL JOURNAL

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

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

Sequence and Membrane Determinants of the Random Coil–Helix Transition of α-Synuclein

(2014) Sowmya B. Lokappa et al.   JOURNAL OF MOLECULAR BIOLOGY

Partitioning of Amino Acids into a Model Membrane: Capturing the Interface

(2014) Taras V. Pogorelov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

α-Synuclein-Induced Membrane Remodeling Is Driven by Binding Affinity, Partition Depth, and Interleaflet Order Asymmetry

(2014) Anthony R. Braun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lipid Organization of the Plasma Membrane

(2014) Helgi I. Ingólfsson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Perspective on the Martini model

(2013) Siewert J. Marrink et al.   CHEMICAL SOCIETY REVIEWS

Organellar lipidomics—background and perspectives

(2013) Christian Klose et al.   CURRENT OPINION IN CELL BIOLOGY

A Microscopic View of Phospholipid Insertion into Biological Membranes

(2013) Josh V. Vermaas et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterizing the Membrane-Bound State of Cytochrome P450 3A4: Structure, Depth of Insertion, and Orientation

(2013) Javier L. Baylon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Properties of native brain α-synuclein

(2013) Jacqueline Burré et al.   NATURE

Insertion of the Ca2+-Independent Phospholipase A2 into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations

(2013) Denis Bucher et al.   PLoS Computational Biology

Conformational Changes in Talin on Binding to Anionic Phospholipid Membranes Facilitate Signaling by Integrin Transmembrane Helices

(2013) Antreas C. Kalli et al.   PLoS Computational Biology

Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model

(2012) Y. Zenmei Ohkubo et al.   BIOPHYSICAL JOURNAL

α-Synuclein Induces Both Positive Mean Curvature and Negative Gaussian Curvature in Membranes

(2012) Anthony R. Braun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of tension and curvature on the chemical potential of lipids in lipid aggregates

(2012) Andrea Grafmüller et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N

(2012) Ana Oliveira et al.   PLoS One

Signaling from the Living Plasma Membrane

(2011) Hernán E. Grecco et al.   CELL

Caught in the Act: Visualization of SNARE-Mediated Fusion Events in Molecular Detail

(2011) Herre Jelger Risselada et al.   CHEMBIOCHEM

α-Synuclein Populates Both Elongated and Broken Helix States on Small Unilamellar Vesicles

(2011) Sowmya Bekshe Lokappa et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Capturing Spontaneous Partitioning of Peripheral Proteins Using a Biphasic Membrane-Mimetic Model

(2011) Mark J. Arcario et al.   JOURNAL OF PHYSICAL CHEMISTRY B

OPM database and PPM web server: resources for positioning of proteins in membranes

(2011) Mikhail A. Lomize et al.   NUCLEIC ACIDS RESEARCH

Membrane lipidome of an epithelial cell line

(2011) Julio L. Sampaio et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Extensive Small-Angle X-ray Scattering Studies of Blood Coagulation Factor VIIa Reveal Interdomain Flexibility

(2010) Charlotte Rode Mosbæk et al.   BIOCHEMISTRY

Effects of Curvature and Composition on α-Synuclein Binding to Lipid Vesicles

(2010) Elizabeth R. Middleton et al.   BIOPHYSICAL JOURNAL

Direct Evidence of Coexisting Horseshoe and Extended Helix Conformations of Membrane-Bound Alpha-Synuclein

(2010) Marta Robotta et al.   CHEMPHYSCHEM

The Lipid-binding Domain of Wild Type and Mutant α-Synuclein

(2010) Elka R. Georgieva et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Lipid map of the mammalian cell

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

Membrane Docking Geometry and Target Lipid Stoichiometry of Membrane-Bound PKCα C2 Domain: A Combined Molecular Dynamics and Experimental Study

(2010) Chun-Liang Lai et al.   JOURNAL OF MOLECULAR BIOLOGY

Sequence-Dependent Interaction of β-Peptides with Membranes

(2010) Jagannath Mondal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Combinatorial NMR and EPR Approach for Evaluating the Structural Ensemble of Partially Folded Proteins

(2010) Jampani Nageswara Rao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solvent-Exposed Tails as Prestalk Transition States for Membrane Fusion at Low Hydration

(2010) Yuliya G. Smirnova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The final steps of integrin activation: the end game

(2010) Sanford J. Shattil et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Role of the synaptobrevin C terminus in fusion pore formation

(2010) A. N. Ngatchou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Prediction of the human membrane proteome

(2010) Linn Fagerberg et al.   PROTEOMICS

The Structure of the Talin/Integrin Complex at a Lipid Bilayer: An NMR and MD Simulation Study

(2010) Antreas C. Kalli et al.   STRUCTURE

The Structure of the Talin Head Reveals a Novel Extended Conformation of the FERM Domain

(2010) Paul R. Elliott et al.   STRUCTURE

Single-Molecule Studies of the Neuronal SNARE Fusion Machinery

(2009) Axel T. Brunger et al.   Annual Review of Biochemistry

Biochemical and Structural Properties of the Integrin-Associated Cytoskeletal Protein Talin

(2009) David R. Critchley   Annual Review of Biophysics

α-Synuclein Binds Large Unilamellar Vesicles as an Extended Helix†

(2009) Adam J. Trexler et al.   BIOCHEMISTRY

Theoretical Investigations of Nitric Oxide Channeling in Mycobacterium tuberculosis Truncated Hemoglobin N

(2009) Richard Daigle et al.   BIOPHYSICAL JOURNAL

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

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

Synaptotagmin-Mediated Bending of the Target Membrane Is a Critical Step in Ca2+-Regulated Fusion

(2009) Enfu Hui et al.   CELL

Coarse-Grain Simulations of the R-SNARE Fusion Protein in its Membrane Environment Detect Long-Lived Conformational Sub-States

(2009) Marie-Pierre Durrieu et al.   CHEMPHYSCHEM

Systematic multiscale simulation of membrane protein systems

(2009) Gary S Ayton et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The structure of an integrin/talin complex reveals the basis of inside-out signal transduction

(2009) Nicholas J Anthis et al.   EMBO JOURNAL

Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales

(2009) Gary S. Ayton et al.   FARADAY DISCUSSIONS

Curvature Dynamics of α-Synuclein Familial Parkinson Disease Mutants

(2009) Jason D. Perlmutter et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Structure of an Interdomain Complex That Regulates Talin Activity

(2009) Benjamin T. Goult et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

New PI(4,5)P2- and membrane proximal integrin–binding motifs in the talin head control β3-integrin clustering

(2009) Frédéric Saltel et al.   JOURNAL OF CELL BIOLOGY

MPEx: A tool for exploring membrane proteins

(2009) Craig Snider et al.   PROTEIN SCIENCE

The Tail of Integrins, Talin, and Kindlins

(2009) M. Moser et al.   SCIENCE

Membrane Fusion: Grappling with SNARE and SM Proteins

(2009) T. C. Sudhof et al.   SCIENCE

Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations

(2008) Justin L. MacCallum et al.   BIOPHYSICAL JOURNAL

Anton, a special-purpose machine for molecular dynamics simulation

(2008) David E. Shaw et al.   COMMUNICATIONS OF THE ACM

Membrane proteins: molecular dynamics simulations

(2008) E LINDAHL et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli 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

Antiparallel Arrangement of the Helices of Vesicle-Bound α-Synuclein

(2008) Malte Drescher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane-Bound α-Synuclein Forms an Extended Helix: Long-Distance Pulsed ESR Measurements Using Vesicles, Bicelles, and Rodlike Micelles

(2008) Elka R. Georgieva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane recognition by phospholipid-binding domains

(2008) Mark A. Lemmon   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Membrane lipids: where they are and how they behave

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

Structure of membrane-bound  -synuclein from site-directed spin labeling and computational refinement

(2008) C. C. Jao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Distinct Structural and Adhesive Roles of Ca2+ in Membrane Binding of Blood Coagulation Factors

(2008) Y. Zenmei Ohkubo et al.   STRUCTURE