Allosteric regulation of rhomboid intramembrane proteolysis
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July 2014 |
Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel
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August 2014 |
Lateral opening of a translocon upon entry of protein suggests the mechanism of insertion into membranes
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September 2010 |
Crystal Structure of the Mammalian GIRK2 K+ Channel and Gating Regulation by G Proteins, PIP2, and Sodium
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September 2011 |
Equilibrium thermodynamics from basin-sampling
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January 2006 |
Energy landscapes: calculating pathways and rates
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January 2006 |
Mechanism of Voltage Gating in Potassium Channels
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April 2012 |
Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides
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April 2012 |
Insights into Aβ Aggregation: A Molecular Dynamics Perspective
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March 2013 |
Probabilistic Local Features in Uncertain Vector Fields with Spatial Correlation
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June 2012 |
Structure of a complex of the ATPase SecA and the protein-translocation channel
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October 2008 |
Wild type and mutants of the HET-s(218-289) prion show different flexibility at fibrillar ends: a simulation study
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text
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January 2014 |
Energy landscapes for diffusion: Analysis of cage-breaking processes
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October 2008 |
Single molecule unfolding and stretching of protein domains inside a solid-state nanopore by electric field
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April 2013 |
Effect of ivermectin on γ-aminobutyric acid-induced chloride currents in mouse hippocampal embryonic neurones
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Repetitive Pulling Catalyzes Co-translocational Unfolding of Barnase During Import Through a Mitochondrial Pore
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Dynamics of SecY Translocons with Translocation-Defective Mutations
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July 2010 |
The energy landscape as a unifying theme in molecular science
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December 2004 |
Tuning voltage-gated channel activity and cellular excitability with a sphingomyelinase
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September 2013 |
Probing the Effects of Membrane Cholesterol in the Torpedo californica Acetylcholine Receptor and the Novel Lipid-exposed Mutation αC418W in Xenopus Oocytes
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September 2001 |
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide
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December 2007 |
How Translocons Select Transmembrane Helices
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June 2008 |
Membrane Simulations of OpcA: Gating in the Loops?
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January 2007 |
Effect of local anaesthetics on steroid-nicotinic acetylcholine receptor interactions in native membranes of Torpedo marmorata electric organ
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September 1990 |
Cholesterol and the Golgi apparatus
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September 1993 |
Determination of RNA Orientation during Translocation through a Biological Nanopore
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Cytochrome Display on Amyloid Fibrils
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February 2006 |
Discrete path sampling
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October 2002 |
Membrane Insertion of a Potassium-Channel Voltage Sensor
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March 2005 |
The Alzheimer β-peptide shows temperature-dependent transitions between left-handed 31-helix, β-strand and random coil secondary structures: Structural transitions of Alzheimer β-peptide
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July 2005 |
A? Oligomers ? a decade of discovery
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June 2007 |
The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease
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April 2012 |
Cholesterol effects on nicotinic acetylcholine receptor
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November 2007 |
Structure of the transmembrane region of the M2 protein H+ channel
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November 2001 |
Structural analysis of a rhomboid family intramembrane protease reveals a gating mechanism for substrate entry
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Simulation of activation free energies in molecular systems
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Molecular Interactions of Alzheimer's Aβ Protofilaments with Lipid Membranes
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Crystal structure of a rhomboid family intramembrane protease
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Structure-Guided Design of AMP Mimics That Inhibit Fructose-1,6-bisphosphatase with High Affinity and Specificity
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December 2007 |
Growth of β2-microglobulin-related amyloid fibrils by non-esterified fatty acids at a neutral pH
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Two pools of cholesterol in acetylcholine receptor-rich membranes from Torpedo
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Mechanism of potassium-channel selectivity revealed by Na+ and Li+ binding sites within the KcsA pore
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Effective energy function for proteins in lipid membranes
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June 2003 |
Dual Effect of Phosphatidyl (4,5)-Bisphosphate PIP 2 on Shaker K + Channels
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August 2012 |
Coupling of Retinal, Protein, and Water Dynamics in Squid Rhodopsin
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Embedding Aβ42 in Heterogeneous Membranes Depends on Cholesterol Asymmetries
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Force distributions in a triangular lattice of rigid bars
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Crystal Structure of the Human K2P TRAAK, a Lipid- and Mechano-Sensitive K+ Ion Channel
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Crystal Structure of a Mammalian Voltage-Dependent Shaker Family K+ Channel
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The importance of solvation in the design of ligands targeting membrane proteins
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The force network ensemble for granular packings
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Principles of activation and permeation in an anion-selective Cys-loop receptor
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May 2011 |
Solid-state nanopores
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March 2007 |
Rigorous Free Energy Calculations in Structure-Based Drug Design
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July 2010 |
Alzheimer Aβ peptide interactions with lipid membranes: Fibrils, oligomers and polymorphic amyloid channels
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September 2012 |
Fibril elongation mechanisms of HET-s prion-forming domain: Topological evidence for growth polarity
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August 2011 |
Characterization of the outer membrane protein OprF of Pseudomonas aeruginosa in a lipopolysaccharide membrane by computer simulation
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Jamming, Yielding, and Rheology of Weakly Vibrated Granular Media
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Structural mechanism of C-type inactivation in K+ channels
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A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor
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Ion conduction and conformational flexibility of a bacterial voltage-gated sodium channel
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February 2014 |
The free energy landscape and dynamics of met-enkephalin
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Negative Conductance Caused by Entry of Sodium and Cesium Ions into the Potassium Channels of Squid Axons
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Hydrogen bond dynamics in membrane protein function
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Optimization of Receptor-G Protein Coupling by Bilayer Lipid Composition I: KINETICS OF RHODOPSIN-TRANSDUCIN BINDING
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September 2001 |
Critical Scaling and Aging in Cooling Systems Near the Jamming Transition
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April 2009 |
Lipids revert inert Aβ amyloid fibrils to neurotoxic protofibrils that affect learning in mice
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December 2007 |
Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles
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On the selective ion binding hypothesis for potassium channels
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Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles
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December 2009 |
Uncovering the intimate relationship between lipids, cholesterol and GPCR activation
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December 2011 |
Jamming, Yielding and Rheology of Weakly Vibrated Granular Media
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Regulation of receptor function by cholesterol
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Amyloid Aggregation on Lipid Bilayers and Its Impact on Membrane Permeability
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Conformational transition of Sec machinery inferred from bacterial SecYE structures
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October 2008 |
Endogenous neurosteroids regulate GABAA receptors through two discrete transmembrane sites
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November 2006 |
Lipid-Dependent GPCR Dimerization
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The crystal structure of a voltage-gated sodium channel
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July 2011 |
Origins of ion selectivity in potassium channels from the perspective of channel block
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Helix Self-Assembly from Anisotropic Molecules
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Increased membrane cholesterol reduces the potentiation of GABAA currents by neurosteroids in dissociated hippocampal neurones
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Molecular Dynamics and NMR Spectroscopy Studies of E. coli Lipopolysaccharide Structure and Dynamics
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Lipid-protein interactions in reconstituted membranes containing acetylcholine receptor
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Reduced Lateral Mobility of Lipids and Proteins in Crowded Membranes
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Lipids as Modulators of Proteolytic Activity of BACE: INVOLVEMENT OF CHOLESTEROL, GLYCOSPHINGOLIPIDS, AND ANIONIC PHOSPHOLIPIDS IN VITRO
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Visual Analysis of Dynamic Protein Cavities and Binding Sites
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Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity
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Curvature, Lipid Packing, and Electrostatics of Membrane Organelles: Defining Cellular Territories in Determining Specificity
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The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
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July 2007 |
Calculation of Relative Binding Free Energy Differences for Fructose 1,6-Bisphosphatase Inhibitors Using the Thermodynamic Cycle Perturbation Approach
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July 2001 |
The rhomboid protease family: a decade of progress on function and mechanism
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January 2011 |
Structural basis for lipid modulation of nicotinic acetylcholine receptor function
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December 2004 |
Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore
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Dynamic channels in biomolecular systems: Path analysis and visualization
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Potential role of caveolin-1-positive domains in the regulation of the acetylcholine receptor's activable pool: Implications in the pathogenesis of a novel congenital myasthenic syndrome
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In Silico Partitioning and Transmembrane Insertion of Hydrophobic Peptides under Equilibrium Conditions
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Slowing down single-molecule trafficking through a protein nanopore reveals intermediates for peptide translocation
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Membrane permeabilization by Islet Amyloid Polypeptide
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July 2009 |
Impaired Processing of Human Pro-Islet Amyloid Polypeptide Is Not a Causative Factor for Fibril Formation or Membrane Damage in Vitro
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November 2009 |
Rhodopsin Exhibits a Preference for Solvation by Polyunsaturated Docosohexaenoic Acid
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Visualizing dynamic molecular conformations
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The effect of cholesterol on agonist-induced flux in reconstituted acetylcholine receptor vesicles
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Phospholipid chain immobilization and steriod rotational immobilization in acetylcholine receptor-rich membranes from torpedo marmorata
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Solubilisation of the ?-Aminobutyric Acid/Benzodiazepine Receptor from Rat Cerebellum: Optimal Preservation of the Modulatory Responses by Natural Brain Lipids
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Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment
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Exploring cavity dynamics in biomolecular systems
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Unfolding of Proteins and Long Transient Conformations Detected by Single Nanopore Recording
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PIP 2 Is a Necessary Cofactor for Ion Channel Function: How and Why?
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Architectural and thermodynamic principles underlying intramembrane protease function
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Rhomboid Protease Dynamics and Lipid Interactions
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Neurosteroids: endogenous regulators of the GABAA receptor
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Structural basis for the function and inhibition of an influenza virus proton channel
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Modulation of Alzheimer’s Aβ Protofilament-Membrane Interactions by Lipid Headgroups
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Thermal Unfolding of Proteins Probed at the Single Molecule Level Using Nanopores
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PIP2 controls voltage-sensor movement and pore opening of Kv channels through the S4-S5 linker
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Role of Cholesterol and Polyunsaturated Chains in Lipid−Protein Interactions: Molecular Dynamics Simulation of Rhodopsin in a Realistic Membrane Environment
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Coarse-Grained Models for Protein Folding and Aggregation
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The crystal structure of the rhomboid peptidase from Haemophilus influenzae provides insight into intramembrane proteolysis
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Disaccharides Impact the Lateral Organization of Lipid Membranes
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Structure of Rhomboid Protease in a Lipid Environment
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Transmembrane Structures for Alzheimer’s Aβ 1−42 Oligomers
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Initial Response of the Potassium Channel Voltage Sensor to a Transmembrane Potential
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Jamming Transition as Probed by Quasistatic Shear Flow
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Virtual Screening in Drug Discovery - A Computational Perspective
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Removal of phospho-head groups of membrane lipids immobilizes voltage sensors of K+ channels
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Wild type and mutants of the HET-s(218-289) prion show different flexibility at fibrillar ends: A simulation study: Wild Type and Mutants of HET-s(218-289)
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Evolutionary imprint of activation: The design principles of VSDs
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Quantitative Modeling of Membrane Deformations by Multihelical Membrane Proteins: Application to G-Protein Coupled Receptors
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Mechanism and Kinetics of Peptide Partitioning into Membranes from All-Atom Simulations of Thermostable Peptides
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Ensemble theory for force networks in hyperstatic granular matter
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Domain Swapping in the Cytoplasmic Domain of the Escherichia coli Rhomboid Protease
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The structural basis for catalysis and substrate specificity of a rhomboid protease
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Topography of Nicotinic Acetylcholine Receptor Membrane-embedded Domains
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Voronoi-Based Extraction and Visualization of Molecular Paths
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Structure of Staphylococcal alpha -Hemolysin, a Heptameric Transmembrane Pore
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Phospholipids and the origin of cationic gating charges in voltage sensors
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Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands
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Omega Currents in Voltage-Gated Ion Channels: What Can We Learn from Uncovering the Voltage-Sensing Mechanism Using MD Simulations?
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Embedded cholesterol in the nicotinic acetylcholine receptor
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Ionic Current Blockades from DNA and RNA Molecules in the α-Hemolysin Nanopore
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A role for direct interactions in the modulation of rhodopsin by -3 polyunsaturated lipids
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Specific Binding of Adamantane Drugs and Direction of Their Polar Amines in the Pore of the Influenza M2 Transmembrane Domain in Lipid Bilayers and Dodecylphosphocholine Micelles Determined by NMR Spectroscopy
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Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa
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Predictions for Cholesterol Interaction Sites on the A2A Adenosine Receptor
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Force distributions in a triangular lattice of rigid bars
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Energy landscapes: some new horizons
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Insights into Substrate Gating in H. influenzae Rhomboid
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Membrane fusion and vesicular transformation induced by Alzheimer's amyloid beta
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Pore architecture and ion sites in acid-sensing ion channels and P2X receptors
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Binding Hot Spots and Amantadine Orientation in the Influenza A Virus M2 Proton Channel
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Amantadine-induced conformational and dynamical changes of the influenza M2 transmembrane proton channel
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Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes
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Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study
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Modulation of rhodopsin function by properties of the membrane bilayer
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Coexistence of two adamantane binding sites in the influenza A M2 ion channel
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Catalytic Mechanism of Rhomboid Protease GlpG Probed by 3,4-Dichloroisocoumarin and Diisopropyl Fluorophosphonate
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Detecting protein analytes that modulate transmembrane movement of a polymer chain within a single protein pore
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Oligomeric state study of prokaryotic rhomboid proteases
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Environment of the Gating Charges in the Kv1.2 Shaker Potassium Channel
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Structures of KcsA in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site
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Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions
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Phosphoinositides regulate ion channels
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Interactions between Sec Complex and Prepro-α-Factor during Posttranslational Protein Transport into the Endoplasmic Reticulum
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Crystal structure of a voltage-gated sodium channel in two potentially inactivated states
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Structural basis for intramembrane proteolysis by rhomboid serine proteases
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The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity
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Amphipathic Lipid Packing Sensor Motifs: Probing Bilayer Defects with Hydrophobic Residues
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Conical Lipids in Flat Bilayers Induce Packing Defects Similar to that Induced by Positive Curvature
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Refined Structure of the Nicotinic Acetylcholine Receptor at 4Å Resolution
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Structural Characterization and Computer-Aided Optimization of a Small-Molecule Inhibitor of the Arp2/3 Complex, a Key Regulator of the Actin Cytoskeleton
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Similarities between protein folding and granular jamming
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On the Importance of Atomic Fluctuations, Protein Flexibility, and Solvent in Ion Permeation
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Theoretical study of the water tetramer
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Crystal structure of a heterotetrameric NMDA receptor ion channel
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Acceleration of oligomerization, not fibrillization, is a shared property of both alpha -synuclein mutations linked to early-onset Parkinson's disease: Implications for pathogenesis and therapy
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Protein Nanopore-Based, Single-Molecule Exploration of Copper Binding to an Antimicrobial-Derived, Histidine-Containing Chimera Peptide
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The Morphology of Decorated Amyloid Fibers is Controlled by the Conformation and Position of the Displayed Protein
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X-ray structure of a protein-conducting channel
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Local Frustration Determines Molecular and Macroscopic Helix Structures
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Molecular Dynamics Simulations of Lipid Membrane Electroporation
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Functional reconstitution of the bovine brain GABAA receptor from solubilized components
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Conformational Change in Rhomboid Protease GlpG Induced by Inhibitor Binding to Its S′ Subsites
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April 2012 |
Molecular Dynamics Simulations of Voltage-Gated Cation Channels: Insights on Voltage-Sensor Domain Function and Modulation
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journal
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January 2012 |
Enzymatic activation of voltage-gated potassium channels
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journal
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June 2006 |
Neurosteroid binding sites on GABAA receptors
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journal
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October 2007 |
Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: A molecular dynamics simulation study
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journal
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February 2013 |
Nanopore Analysis of a Small 86-Residue Protein
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journal
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January 2008 |
Regulation of voltage-gated potassium channels by PI(4,5)P2
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journal
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July 2012 |
E. coli Outer Membrane and Interactions with OmpLA
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journal
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June 2014 |
Evaluations of the Absolute and Relative Free Energies for Antidepressant Binding to the Amino Acid Membrane Transporter LeuT with Free Energy Simulations
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journal
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April 2010 |
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
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journal
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July 1997 |
Cholesterol depletion activates rapid internalization of submicron-sized acetylcholine receptor domains at the cell membrane
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journal
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January 2007 |
Structure and Dynamics of Parallel β-Sheets, Hydrophobic Core, and Loops in Alzheimer’s Aβ Fibrils
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journal
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May 2007 |
How Does a Voltage Sensor Interact with a Lipid Bilayer? Simulations of a Potassium Channel Domain
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journal
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February 2007 |
Investigation of Single-Molecule Kinetics Mediated by Weak Hydrogen Bonds within a Biological Nanopore
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journal
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January 2011 |
Protein Translocation Across the Bacterial Cytoplasmic Membrane
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journal
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June 2008 |
Immobilized lipid in acetylcholine receptor-rich membranes from Torpedo marmorata.
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journal
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September 1978 |
Interpreting the Aggregation Kinetics of Amyloid Peptides
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journal
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July 2006 |
Predictions for Cholesterol Interaction Sites on the A 2A Adenosine Receptor
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journal
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September 2012 |
Forcing independent velocity distributions in an experimental granular fluid
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journal
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May 2007 |
Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs
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journal
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December 2012 |
Metastability and Markov State Models in Molecular Dynamics
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book
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January 2013 |
Effect of salt bridges on the energy landscape of a model protein
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journal
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November 2004 |
Stationary points and dynamics in high-dimensional systems
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journal
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December 2003 |
Visualization of Molecules with Positional Uncertainty
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book
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January 1999 |
Jamming of frictional spheres and random loose packing
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journal
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January 2010 |
Potential Energy and Free Energy Landscapes
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journal
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October 2006 |
Interaction of the Acetylcholine (Nicotinic) Receptor Protein from Torpedo marmorata Electric Organ with Monolayers of Pure Lipids
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journal
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April 1978 |
Effects of membrane cholesterol on the sensitivity of the GABAA receptor to GABA in acutely dissociated rat hippocampal neurones
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journal
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January 2001 |
Reconstitution of intramembrane proteolysis in vitro reveals that pure rhomboid is sufficient for catalysis and specificity
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journal
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January 2005 |
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling
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journal
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October 2013 |
Naturally secreted oligomers of amyloid β protein potently inhibit hippocampal long-term potentiation in vivo
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journal
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April 2002 |
Globular amyloid beta-peptide1-42 oligomer - a homogenous and stable neuropathological protein in Alzheimer's disease
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journal
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November 2005 |