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Title: Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Journal Article · · Journal of Membrane Biology
 [1];  [2];  [3];  [4];  [5];  [6];  [7];  [3];  [8];  [9];  [10];  [1];  [5];  [11];  [12];  [13];  [8];  [14];  [15];  [5] more »;  [3];  [16];  [17];  [7];  [18];  [19];  [20];  [21];  [22] « less
  1. Academy of Athens (Greece)
  2. Univ. of California, Davis, CA (United States); RMIT Univ., Melbourne (Australia)
  3. Univ. of California, Irvine, CA (United States)
  4. Univ. of Nice Sophia Antipolis and French National Center for Scientific Research (France)
  5. Zuse Inst. of Berlin (Germany)
  6. Rutgers Univ., Camden, NJ (United States)
  7. Univ. College, Dublin (Ireland)
  8. Temple Univ., Philadelphia, PA (United States)
  9. Univ. of Granada (Spain)
  10. Linnaeus Univ., Kalmar (Sweden)
  11. IBPC and CNRS, Paris (France)
  12. Univ. of Lorraine, Nancy (France); Lomonosov Moscow State Univ. (Russia)
  13. Univ. of Athens (Greece)
  14. Univ. of Southampton (United Kingdom)
  15. Univ. of Alberta, Edmonton, AB (Canada)
  16. Pompeu Fabra Univ., Barcelona (Spain)
  17. Univ. of Lorraine and CNRS, Nancy (France)
  18. Univ. of Nice Sophia Antipolis and French National Center for Scientific Research (France)
  19. Johns Hopkins Univ., Baltimore, MD (United States)
  20. Univ. of Cambridge (United Kingdom)
  21. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  22. Free Univ. of Berlin (Germany)

It is fundamental for the flourishing biological cells that membrane proteins mediate the process. Membrane-embedded transporters move ions and larger solutes across membranes; receptors mediate communication between the cell and its environment and membrane-embedded enzymes catalyze chemical reactions. Understanding these mechanisms of action requires knowledge of how the proteins couple to their fluid, hydrated lipid membrane environment. Here, we present here current studies in computational and experimental membrane protein biophysics, and show how they address outstanding challenges in understanding the complex environmental effects on the structure, function, and dynamics of membrane proteins.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE; National Science Foundation (NSF)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1265906
Journal Information:
Journal of Membrane Biology, Vol. 248, Issue 4; ISSN 0022-2631
Publisher:
SpringerCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 116 works
Citation information provided by
Web of Science

References (268)

Allosteric regulation of rhomboid intramembrane proteolysis journal July 2014
Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel journal August 2014
Lateral opening of a translocon upon entry of protein suggests the mechanism of insertion into membranes journal September 2010
Crystal Structure of the Mammalian GIRK2 K+ Channel and Gating Regulation by G Proteins, PIP2, and Sodium journal September 2011
Equilibrium thermodynamics from basin-sampling journal January 2006
Energy landscapes: calculating pathways and rates journal January 2006
Mechanism of Voltage Gating in Potassium Channels journal April 2012
Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides journal April 2012
Insights into Aβ Aggregation: A Molecular Dynamics Perspective journal March 2013
Probabilistic Local Features in Uncertain Vector Fields with Spatial Correlation journal June 2012
Structure of a complex of the ATPase SecA and the protein-translocation channel journal October 2008
Wild type and mutants of the HET-s(218-289) prion show different flexibility at fibrillar ends: a simulation study text January 2014
Energy landscapes for diffusion: Analysis of cage-breaking processes journal October 2008
Single molecule unfolding and stretching of protein domains inside a solid-state nanopore by electric field journal April 2013
Effect of ivermectin on γ-aminobutyric acid-induced chloride currents in mouse hippocampal embryonic neurones journal July 1994
Repetitive Pulling Catalyzes Co-translocational Unfolding of Barnase During Import Through a Mitochondrial Pore journal July 2005
Dynamics of SecY Translocons with Translocation-Defective Mutations journal July 2010
The energy landscape as a unifying theme in molecular science journal December 2004
Tuning voltage-gated channel activity and cellular excitability with a sphingomyelinase journal September 2013
Probing the Effects of Membrane Cholesterol in the Torpedo californica Acetylcholine Receptor and the Novel Lipid-exposed Mutation αC418W in Xenopus Oocytes journal September 2001
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide journal December 2007
How Translocons Select Transmembrane Helices journal June 2008
Membrane Simulations of OpcA: Gating in the Loops? journal January 2007
Effect of local anaesthetics on steroid-nicotinic acetylcholine receptor interactions in native membranes of Torpedo marmorata electric organ journal September 1990
Cholesterol and the Golgi apparatus journal September 1993
Determination of RNA Orientation during Translocation through a Biological Nanopore journal January 2006
Cytochrome Display on Amyloid Fibrils journal February 2006
Discrete path sampling journal October 2002
Membrane Insertion of a Potassium-Channel Voltage Sensor journal 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 journal July 2005
A? Oligomers ? a decade of discovery journal June 2007
The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease journal April 2012
Cholesterol effects on nicotinic acetylcholine receptor journal November 2007
Structure of the transmembrane region of the M2 protein H+ channel journal November 2001
Structural analysis of a rhomboid family intramembrane protease reveals a gating mechanism for substrate entry journal November 2006
G protein-coupled receptors: novel targets for drug discovery in cancer journal December 2010
Halothane-induced changes in acetylcholine receptor channel kinetics are attenuated by cholesterol journal April 1986
Simulation of activation free energies in molecular systems journal August 1996
Molecular Interactions of Alzheimer's Aβ Protofilaments with Lipid Membranes journal August 2012
Crystal structure of a rhomboid family intramembrane protease journal October 2006
Structure-Guided Design of AMP Mimics That Inhibit Fructose-1,6-bisphosphatase with High Affinity and Specificity journal December 2007
Growth of β2-microglobulin-related amyloid fibrils by non-esterified fatty acids at a neutral pH journal November 2008
Voltage-gated ion channel modulation by lipids: Insights from molecular dynamics simulations journal May 2014
Free Energy Calculations on the Two Drug Binding Sites in the M2 Proton Channel journal July 2011
Two pools of cholesterol in acetylcholine receptor-rich membranes from Torpedo journal February 1987
Imaging α-Hemolysin with Molecular Dynamics: Ionic Conductance, Osmotic Permeability, and the Electrostatic Potential Map journal June 2005
Interactive Extraction and Tracking of Biomolecular Surface Features journal June 2013
Computational models for the prediction of polypeptide aggregation propensity journal October 2006
Mechanism of potassium-channel selectivity revealed by Na+ and Li+ binding sites within the KcsA pore journal November 2009
Effective energy function for proteins in lipid membranes journal June 2003
Dual Effect of Phosphatidyl (4,5)-Bisphosphate PIP 2 on Shaker K + Channels journal August 2012
Coupling of Retinal, Protein, and Water Dynamics in Squid Rhodopsin journal October 2010
Embedding Aβ42 in Heterogeneous Membranes Depends on Cholesterol Asymmetries journal August 2013
Force distributions in a triangular lattice of rigid bars text January 2005
Crystal Structure of the Human K2P TRAAK, a Lipid- and Mechano-Sensitive K+ Ion Channel journal January 2012
Crystal Structure of a Mammalian Voltage-Dependent Shaker Family K+ Channel journal August 2005
The importance of solvation in the design of ligands targeting membrane proteins journal January 2011
The force network ensemble for granular packings journal January 2010
Principles of activation and permeation in an anion-selective Cys-loop receptor journal May 2011
Solid-state nanopores journal March 2007
Rigorous Free Energy Calculations in Structure-Based Drug Design journal July 2010
Alzheimer Aβ peptide interactions with lipid membranes: Fibrils, oligomers and polymorphic amyloid channels journal September 2012
Fibril elongation mechanisms of HET-s prion-forming domain: Topological evidence for growth polarity journal August 2011
Characterization of the outer membrane protein OprF of Pseudomonas aeruginosa in a lipopolysaccharide membrane by computer simulation journal February 2009
Jamming, Yielding, and Rheology of Weakly Vibrated Granular Media journal September 2011
Structural mechanism of C-type inactivation in K+ channels journal July 2010
Deciphering ionic current signatures of DNA transport through a nanopore journal January 2010
Spontaneous diabetes mellitus in transgenic mice expressing human islet amyloid polypeptide. journal July 1996
The Role of L1 Loop in the Mechanism of Rhomboid Intramembrane Protease GlpG journal December 2007
Perspectives on: Ion selectivity journal April 2011
A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor journal June 2008
Ion conduction and conformational flexibility of a bacterial voltage-gated sodium channel journal February 2014
The free energy landscape and dynamics of met-enkephalin journal November 2003
Statistical Mechanical Theory of Transport Processes. VII. The Coefficient of Thermal Conductivity of Monatomic Liquids journal May 1954
Negative Conductance Caused by Entry of Sodium and Cesium Ions into the Potassium Channels of Squid Axons journal November 1972
Hydrogen bond dynamics in membrane protein function journal April 2012
Optimization of Receptor-G Protein Coupling by Bilayer Lipid Composition I: KINETICS OF RHODOPSIN-TRANSDUCIN BINDING journal September 2001
Critical Scaling and Aging in Cooling Systems Near the Jamming Transition journal April 2009
Lipids revert inert Aβ amyloid fibrils to neurotoxic protofibrils that affect learning in mice journal December 2007
Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles text January 2010
On the selective ion binding hypothesis for potassium channels journal October 2011
Soluble Protofibrils as Metastable Intermediates in Simulations of Amyloid Fibril Degradation Induced by Lipid Vesicles journal December 2009
Uncovering the intimate relationship between lipids, cholesterol and GPCR activation journal December 2011
Jamming, Yielding and Rheology of Weakly Vibrated Granular Media text January 2011
Regulation of receptor function by cholesterol journal October 2000
Amyloid Aggregation on Lipid Bilayers and Its Impact on Membrane Permeability journal March 2009
Conformational transition of Sec machinery inferred from bacterial SecYE structures journal October 2008
Endogenous neurosteroids regulate GABAA receptors through two discrete transmembrane sites journal November 2006
Lipid-Dependent GPCR Dimerization book October 2013
The crystal structure of a voltage-gated sodium channel journal July 2011
Origins of ion selectivity in potassium channels from the perspective of channel block journal April 2011
Helix Self-Assembly from Anisotropic Molecules journal August 2007
Discrete Ba2+ block as a probe of ion occupancy and pore structure in the high-conductance Ca2+ -activated K+ channel. journal November 1988
Ensemble Theory for Force Networks in Hyperstatic Granular Matter text January 2004
Coarse-Grained Biomolecular Simulation with REACH: Realistic Extension Algorithm via Covariance Hessian journal November 2007
Increased membrane cholesterol reduces the potentiation of GABAA currents by neurosteroids in dissociated hippocampal neurones journal September 1998
Molecular Dynamics and NMR Spectroscopy Studies of E. coli Lipopolysaccharide Structure and Dynamics journal September 2013
Lipid-protein interactions in reconstituted membranes containing acetylcholine receptor journal November 1983
Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers journal February 2010
Reduced Lateral Mobility of Lipids and Proteins in Crowded Membranes journal April 2013
Lipids as Modulators of Proteolytic Activity of BACE: INVOLVEMENT OF CHOLESTEROL, GLYCOSPHINGOLIPIDS, AND ANIONIC PHOSPHOLIPIDS IN VITRO journal August 2005
Visual Analysis of Dynamic Protein Cavities and Binding Sites conference March 2014
Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity journal December 2013
Curvature, Lipid Packing, and Electrostatics of Membrane Organelles: Defining Cellular Territories in Determining Specificity journal November 2012
The MARTINI Force Field:  Coarse Grained Model for Biomolecular Simulations journal July 2007
Calculation of Relative Binding Free Energy Differences for Fructose 1,6-Bisphosphatase Inhibitors Using the Thermodynamic Cycle Perturbation Approach journal July 2001
The rhomboid protease family: a decade of progress on function and mechanism journal January 2011
Structural basis for lipid modulation of nicotinic acetylcholine receptor function journal December 2004
Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore journal December 2012
Dynamic channels in biomolecular systems: Path analysis and visualization conference October 2012
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 journal May 2008
Reconstitution of acetylcholine receptor from Torpedo californica with highly purified phospholipids: Effect of α-tocopherol, phylloquinone, and other terpenoid quinones journal March 1980
Electrophysiological evidence for heptameric stoichiometry of ion channels formed by Staphylococcus aureus alpha-toxin in planar lipid bilayers journal September 2000
Structural basis of PIP2 activation of the classical inward rectifier K+ channel Kir2.2 journal August 2011
Computational approaches to molecular recognition journal December 1997
In Silico Partitioning and Transmembrane Insertion of Hydrophobic Peptides under Equilibrium Conditions journal October 2011
Experimentally determined hydrophobicity scale for proteins at membrane interfaces journal October 1996
Enzymatic analysis of a rhomboid intramembrane protease implicates transmembrane helix 5 as the lateral substrate gate journal April 2007
Catalysis of Na+ permeation in the bacterial sodium channel NaVAb journal June 2013
Slowing down single-molecule trafficking through a protein nanopore reveals intermediates for peptide translocation journal January 2014
Membrane permeabilization by Islet Amyloid Polypeptide journal July 2009
Impaired Processing of Human Pro-Islet Amyloid Polypeptide Is Not a Causative Factor for Fibril Formation or Membrane Damage in Vitro journal November 2009
Rhodopsin Exhibits a Preference for Solvation by Polyunsaturated Docosohexaenoic Acid journal April 2003
Visualizing dynamic molecular conformations conference January 2002
Simulations of rigid bodies in an angle-axis framework journal January 2009
The effect of cholesterol on agonist-induced flux in reconstituted acetylcholine receptor vesicles journal December 1980
Excursion of a single polypeptide into a protein pore: simple physics, but complicated biology journal March 2008
Phospholipid chain immobilization and steriod rotational immobilization in acetylcholine receptor-rich membranes from torpedo marmorata journal June 1981
Solubilisation of the ?-Aminobutyric Acid/Benzodiazepine Receptor from Rat Cerebellum: Optimal Preservation of the Modulatory Responses by Natural Brain Lipids journal November 1987
Molecular basis of voltage gating of OmpF porin journal October 2002
Diffusible, nonfibrillar ligands derived from A 1-42 are potent central nervous system neurotoxins journal May 1998
Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment journal February 2013
Channelopathies linked to plasma membrane phosphoinositides journal April 2010
Exploring cavity dynamics in biomolecular systems journal November 2013
Influence of the membrane potential on the free energy of an intrinsic protein journal December 1997
Unfolding of Proteins and Long Transient Conformations Detected by Single Nanopore Recording journal April 2007
PIP 2 Is a Necessary Cofactor for Ion Channel Function: How and Why? journal June 2008
Architectural and thermodynamic principles underlying intramembrane protease function journal July 2012
Rhomboid Protease Dynamics and Lipid Interactions journal March 2009
Neurosteroids: endogenous regulators of the GABAA receptor journal June 2005
Structural basis for the function and inhibition of an influenza virus proton channel journal January 2008
Modulation of Alzheimer’s Aβ Protofilament-Membrane Interactions by Lipid Headgroups journal January 2015
Thermal Unfolding of Proteins Probed at the Single Molecule Level Using Nanopores journal April 2012
PIP2 controls voltage-sensor movement and pore opening of Kv channels through the S4-S5 linker journal August 2012
Role of Cholesterol and Polyunsaturated Chains in Lipid−Protein Interactions:  Molecular Dynamics Simulation of Rhodopsin in a Realistic Membrane Environment journal April 2005
Reconstitution of acetylcholine receptor function in lipid vesicles of defined composition journal January 1983
A Predicted Binding Site for Cholesterol on the GABAA Receptor journal May 2014
Dynamics of Unfolded Protein Transport through an Aerolysin Pore journal March 2011
Coarse-Grained Models for Protein Folding and Aggregation book January 2012
Critical Scaling of Shear Viscosity at the Jamming Transition journal October 2007
The crystal structure of the rhomboid peptidase from Haemophilus influenzae provides insight into intramembrane proteolysis journal January 2007
Disaccharides Impact the Lateral Organization of Lipid Membranes journal November 2014
Structure of Rhomboid Protease in a Lipid Environment journal March 2011
Transmembrane Structures for Alzheimer’s Aβ 1−42 Oligomers journal September 2010
Initial Response of the Potassium Channel Voltage Sensor to a Transmembrane Potential journal February 2009
Jamming Transition as Probed by Quasistatic Shear Flow journal May 2009
Virtual Screening in Drug Discovery - A Computational Perspective journal August 2007
Inhibition of peptide aggregation by lipids: Insights from coarse-grained molecular simulations journal February 2011
Removal of phospho-head groups of membrane lipids immobilizes voltage sensors of K+ channels journal February 2008
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) journal October 2013
Evolutionary imprint of activation: The design principles of VSDs journal January 2014
Open-cap conformation of intramembrane protease GlpG journal February 2007
Quantitative Modeling of Membrane Deformations by Multihelical Membrane Proteins: Application to G-Protein Coupled Receptors journal November 2011
Mechanism and Kinetics of Peptide Partitioning into Membranes from All-Atom Simulations of Thermostable Peptides
  • Ulmschneider, Martin B.; Doux, Jacques P. F.; Killian, J. Antoinette
  • Journal of the American Chemical Society, Vol. 132, Issue 10 https://doi.org/10.1021/ja909347x
journal March 2010
Rearrangements of the water trimer journal January 1996
Ensemble theory for force networks in hyperstatic granular matter journal December 2004
Atomistic Visualization of Mesoscopic Whole-Cell Simulations Using Ray-Casted Instancing: Visualization of Mesoscopic Whole-Cell Simulations journal August 2013
Domain Swapping in the Cytoplasmic Domain of the Escherichia coli Rhomboid Protease journal April 2013
The structural basis for catalysis and substrate specificity of a rhomboid protease journal October 2010
Topography of Nicotinic Acetylcholine Receptor Membrane-embedded Domains journal August 2000
Voronoi-Based Extraction and Visualization of Molecular Paths journal December 2011
Aggregation of amyloids in a cellular context: modelling and experiment journal August 2011
Identification of subunits of acetylcholine receptor that interact with a cholesterol photoaffinity probe journal March 1987
Structure of Staphylococcal alpha -Hemolysin, a Heptameric Transmembrane Pore journal December 1996
Phospholipids and the origin of cationic gating charges in voltage sensors journal November 2006
Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands journal October 2004
Omega Currents in Voltage-Gated Ion Channels: What Can We Learn from Uncovering the Voltage-Sensing Mechanism Using MD Simulations? journal January 2013
Embedded cholesterol in the nicotinic acetylcholine receptor journal September 2008
Ionic Current Blockades from DNA and RNA Molecules in the α-Hemolysin Nanopore journal November 2007
A role for direct interactions in the modulation of rhodopsin by  -3 polyunsaturated lipids journal March 2006
The calculation of the potential of mean force using computer simulations journal September 1995
Influence of membrane cholesterol on modulation of the GABA A receptor by neuroactive steroids and other potentiators journal November 2001
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 journal March 2011
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa journal January 2006
Predictions for Cholesterol Interaction Sites on the A2A Adenosine Receptor journal January 2013
Force distributions in a triangular lattice of rigid bars journal September 2005
Energy landscapes: some new horizons journal February 2010
Insights into Substrate Gating in H. influenzae Rhomboid journal April 2011
Energy landscapes of model polyalanines journal July 2002
Membrane fusion and vesicular transformation induced by Alzheimer's amyloid beta journal April 2013
Intermediate states of the Kv1.2 voltage sensor from atomistic molecular dynamics simulations journal March 2011
Ion Channels as Therapeutic Targets: A Drug Discovery Perspective journal November 2012
Pore architecture and ion sites in acid-sensing ion channels and P2X receptors journal July 2009
Binding Hot Spots and Amantadine Orientation in the Influenza A Virus M2 Proton Channel journal November 2009
Amantadine-induced conformational and dynamical changes of the influenza M2 transmembrane proton channel journal January 2008
Anomalous dynamics of forced translocation journal February 2004
Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes journal November 2011
Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study journal September 2012
X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism journal August 2014
Modulation of rhodopsin function by properties of the membrane bilayer journal September 1994
Coexistence of two adamantane binding sites in the influenza A M2 ion channel journal July 2010
Catalytic Mechanism of Rhomboid Protease GlpG Probed by 3,4-Dichloroisocoumarin and Diisopropyl Fluorophosphonate journal November 2011
Detecting protein analytes that modulate transmembrane movement of a polymer chain within a single protein pore journal October 2000
Oligomeric state study of prokaryotic rhomboid proteases journal December 2012
Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR journal August 2012
Environment of the Gating Charges in the Kv1.2 Shaker Potassium Channel journal May 2006
Structures of KcsA in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site journal August 2014
Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions journal July 2012
Phosphoinositides regulate ion channels journal June 2015
Interactions between Sec Complex and Prepro-α-Factor during Posttranslational Protein Transport into the Endoplasmic Reticulum journal January 2004
Crystal structure of a voltage-gated sodium channel in two potentially inactivated states journal May 2012
Structural basis for intramembrane proteolysis by rhomboid serine proteases journal December 2006
The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity journal April 1998
Amphipathic Lipid Packing Sensor Motifs: Probing Bilayer Defects with Hydrophobic Residues journal February 2013
Conical Lipids in Flat Bilayers Induce Packing Defects Similar to that Induced by Positive Curvature journal February 2013
Refined Structure of the Nicotinic Acetylcholine Receptor at 4Å Resolution journal March 2005
Structural Characterization and Computer-Aided Optimization of a Small-Molecule Inhibitor of the Arp2/3 Complex, a Key Regulator of the Actin Cytoskeleton journal May 2012
Similarities between protein folding and granular jamming journal January 2012
On the Importance of Atomic Fluctuations, Protein Flexibility, and Solvent in Ion Permeation journal November 2004
Theoretical study of the water tetramer journal May 1997
Crystal structure of a heterotetrameric NMDA receptor ion channel journal May 2014
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 journal January 2000
Protein Nanopore-Based, Single-Molecule Exploration of Copper Binding to an Antimicrobial-Derived, Histidine-Containing Chimera Peptide journal October 2012
The Morphology of Decorated Amyloid Fibers is Controlled by the Conformation and Position of the Displayed Protein journal January 2012
X-ray structure of a protein-conducting channel journal December 2003
A partially folded structure of amyloid-beta(1–40) in an aqueous environment journal July 2011
The Role of Lipids in the Function of the Acetylcholine Receptor journal January 1985
Crystal structure of the channelrhodopsin light-gated cation channel journal January 2012
A sub-nanometre view of how membrane curvature and composition modulate lipid packing and protein recruitment journal September 2014
Local Frustration Determines Molecular and Macroscopic Helix Structures journal May 2013
Molecular Dynamics Simulations of Lipid Membrane Electroporation journal May 2012
THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method journal October 1992
Functional reconstitution of the bovine brain GABAA receptor from solubilized components journal March 1989
Surfactant Effects on Amyloid Aggregation Kinetics journal November 2011
Finite-size scaling at the jamming transition: Corrections to scaling and the correlation-length critical exponent journal March 2011
Protein translocation across the eukaryotic endoplasmic reticulum and bacterial plasma membranes journal November 2007
Conformational Change in Rhomboid Protease GlpG Induced by Inhibitor Binding to Its S′ Subsites journal April 2012
Molecular Dynamics Simulations of Voltage-Gated Cation Channels: Insights on Voltage-Sensor Domain Function and Modulation journal January 2012
Enzymatic activation of voltage-gated potassium channels journal June 2006
Neurosteroid binding sites on GABAA receptors journal October 2007
Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: A molecular dynamics simulation study journal February 2013
Nanopore Analysis of a Small 86-Residue Protein journal January 2008
Regulation of voltage-gated potassium channels by PI(4,5)P2 journal July 2012
E. coli Outer Membrane and Interactions with OmpLA journal June 2014
Evaluations of the Absolute and Relative Free Energies for Antidepressant Binding to the Amino Acid Membrane Transporter LeuT with Free Energy Simulations journal April 2010
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms journal July 1997
Cholesterol depletion activates rapid internalization of submicron-sized acetylcholine receptor domains at the cell membrane journal January 2007
Structure and Dynamics of Parallel β-Sheets, Hydrophobic Core, and Loops in Alzheimer’s Aβ Fibrils journal May 2007
How Does a Voltage Sensor Interact with a Lipid Bilayer? Simulations of a Potassium Channel Domain journal February 2007
Investigation of Single-Molecule Kinetics Mediated by Weak Hydrogen Bonds within a Biological Nanopore journal January 2011
Protein Translocation Across the Bacterial Cytoplasmic Membrane journal June 2008
Immobilized lipid in acetylcholine receptor-rich membranes from Torpedo marmorata. journal September 1978
Interpreting the Aggregation Kinetics of Amyloid Peptides journal July 2006
Predictions for Cholesterol Interaction Sites on the A 2A Adenosine Receptor journal September 2012
Forcing independent velocity distributions in an experimental granular fluid journal May 2007
Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs journal December 2012
Metastability and Markov State Models in Molecular Dynamics book January 2013
Effect of salt bridges on the energy landscape of a model protein journal November 2004
Stationary points and dynamics in high-dimensional systems journal December 2003
Visualization of Molecules with Positional Uncertainty book January 1999
Jamming of frictional spheres and random loose packing journal January 2010
Potential Energy and Free Energy Landscapes journal October 2006
Interaction of the Acetylcholine (Nicotinic) Receptor Protein from Torpedo marmorata Electric Organ with Monolayers of Pure Lipids journal April 1978
Effects of membrane cholesterol on the sensitivity of the GABAA receptor to GABA in acutely dissociated rat hippocampal neurones journal January 2001
Reconstitution of intramembrane proteolysis in vitro reveals that pure rhomboid is sufficient for catalysis and specificity journal January 2005
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling journal October 2013
Naturally secreted oligomers of amyloid β protein potently inhibit hippocampal long-term potentiation in vivo journal April 2002
Globular amyloid beta-peptide1-42 oligomer - a homogenous and stable neuropathological protein in Alzheimer's disease journal November 2005

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