Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel.

scientific article published on 11 July 2008

Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1529/BIOPHYSJ.108.131078
P932PMC publication ID2553146
P698PubMed publication ID18621807
P5875ResearchGate publication ID5230332

P50authorSyma KhalidQ43243869
Mark S.P. SansomQ58330851
Peter J BondQ59540068
Timothy S CarpenterQ59678629
P2093author name stringMark S P Sansom
Syma Khalid
Peter J Bond
Timothy Carpenter
P2860cites workTwo models of the influenza A M2 channel domain: verification by comparisonQ77796127
Differences in conductance of M2 proton channels of two influenza viruses at low and high pHQ78793311
Coarse-grained molecular dynamics simulations of membrane proteins and peptidesQ79372145
A multiscale coarse-graining method for biomolecular systemsQ79935025
Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channelQ80048287
Multiscale coupling of mesoscopic- and atomistic-level lipid bilayer simulationsQ80409006
Coarse-grained simulations of lipid bilayersQ81234130
The Protein Data BankQ24515306
An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane ProteinsQ24537724
Structure and mechanism of the M2 proton channel of influenza A virusQ24625464
Structure of the transmembrane region of the M2 protein H+ channelQ27635441
The closed state of a H+ channel helical bundle combining precise orientational and distance restraints from solid state NMRQ27639882
Structural basis for the function and inhibition of an influenza virus proton channelQ27649742
Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthaseQ27759156
VMD: visual molecular dynamicsQ27860554
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical featuresQ27860675
Comparative protein structure modeling of genes and genomesQ27860712
Comparative protein modelling by satisfaction of spatial restraintsQ27860866
Mechanism for proton conduction of the M(2) ion channel of influenza A virusQ28139014
The gate of the influenza virus M2 proton channel is formed by a single tryptophan residueQ28218385
Chemical rescue of histidine selectivity filter mutants of the M2 ion channel of influenza A virusQ28241293
Influenza A virus M2 ion channel protein: a structure-function analysisQ28285692
From Levinthal to pathways to funnelsQ28300934
All-Atom Structure Prediction and Folding Simulations of a Stable ProteinQ29305923
The druggable genomeQ29547361
Modeling of loops in protein structuresQ29615861
The MARTINI force field: coarse grained model for biomolecular simulationsQ29617215
HOLE: a program for the analysis of the pore dimensions of ion channel structural modelsQ29619250
Insertion and assembly of membrane proteins via simulation.Q30159902
Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer.Q30332957
Membrane protein folding: beyond the two stage model.Q30336254
The progress of membrane protein structure determinationQ30342003
Membrane protein structure quality in molecular dynamics simulation.Q30351245
Transmembrane protein structures without X-rays.Q30352513
Multiscale simulation of transmembrane proteins.Q30358359
Coarse-grained MD simulations of membrane protein-bilayer self-assembly.Q30368740
A computational study of the closed and open states of the influenza a M2 proton channelQ30995959
Folding Simulations of the Transmembrane Helix of Virus Protein U in an Implicit Membrane ModelQ31030221
The M2 channel of influenza A virus: a molecular dynamics studyQ32019823
Viral ion channels: molecular modeling and simulationQ33536851
Definitive assignment of proton selectivity and attoampere unitary current to the M2 ion channel protein of influenza A virusQ33851167
Transmembrane four-helix bundle of influenza A M2 protein channel: structural implications from helix tilt and orientationQ33907773
The molecular basis of the specific anti-influenza action of amantadineQ33931939
Sequence determinants of the energetics of folding of a transmembrane four-helix-bundle protein.Q34064987
Transmembrane domain of M2 protein from influenza A virus studied by solid-state (15)N polarization inversion spin exchange at magic angle NMRQ34173628
Molecular dynamics simulation of proton transport through the influenza A virus M2 channelQ34178866
Proton conductance of influenza virus M2 protein in planar lipid bilayersQ34187038
The protein folding 'speed limit'.Q34315486
Use of thiol-disulfide equilibria to measure the energetics of assembly of transmembrane helices in phospholipid bilayersQ34385274
How well can simulation predict protein folding kinetics and thermodynamics?Q34415717
Histidines, heart of the hydrogen ion channel from influenza A virus: toward an understanding of conductance and proton selectivity.Q34598265
Membrane assembly of simple helix homo-oligomers studied via molecular dynamics simulationsQ35606823
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.Q35635569
The machinery of membrane protein assemblyQ35863877
Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifsQ35863914
Computer simulations of membrane proteinsQ35935402
Proton transport behavior through the influenza A M2 channel: insights from molecular simulationQ36129061
Molecular dynamics simulations of proteins in lipid bilayersQ36206945
Solving the membrane protein folding problemQ36327794
A functionally defined model for the M2 proton channel of influenza A virus suggests a mechanism for its ion selectivityQ36592280
Initial structural and dynamic characterization of the M2 protein transmembrane and amphipathic helices in lipid bilayersQ36631397
Coarse grained protein-lipid model with application to lipoprotein particlesQ36874437
Coarse-grained simulation: a high-throughput computational approach to membrane proteinsQ37061474
A secondary gate as a mechanism for inhibition of the M2 proton channel by amantadine.Q37241136
Helix-helix interactions in membrane proteins: coarse-grained simulations of glycophorin a helix dimerization.Q40048776
Defining the transmembrane helix of M2 protein from influenza A by molecular dynamics simulations in a lipid bilayerQ40140422
Exploring models of the influenza A M2 channel: MD simulations in a phospholipid bilayerQ40155833
Direct simulation of transmembrane helix association: role of asparaginesQ40295841
The druggable genome: an updateQ40362716
Recognition of transmembrane helices by the endoplasmic reticulum translocon.Q40464906
Influence of residue 44 on the activity of the M2 proton channel of influenza A virus.Q40479778
Permeation and activation of the M2 ion channel of influenza A virus.Q40866037
Mechanosensitive membrane channels in actionQ41815235
The conformation of the pore region of the M2 proton channel depends on lipid bilayer environmentQ42083512
Evaluating tilt angles of membrane-associated helices: comparison of computational and NMR techniques.Q42155185
Two possible conducting states of the influenza A virus M2 ion channelQ42626498
Protonation of histidine and histidine-tryptophan interaction in the activation of the M2 ion channel from influenza a virusQ42649380
Self-assembling of peptide/membrane complexes by atomistic molecular dynamics simulationsQ42989362
Molecular dynamics simulations of model trans-membrane peptides in lipid bilayers: a systematic investigation of hydrophobic mismatchQ43242319
Influenza virus M2 protein is an integral membrane protein expressed on the infected-cell surfaceQ43551346
Expression and initial structural insights from solid-state NMR of the M2 proton channel from influenza A virusQ44130593
Proline-induced distortions of transmembrane helices.Q44205414
Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolutionQ44360114
Studies of structural changes in the M2 proton channel of influenza A virus by tryptophan fluorescenceQ44701177
Experimentally based orientational refinement of membrane protein models: A structure for the Influenza A M2 H+ channelQ44931486
Computer modeling of polyleucine-based coiled coil dimers in a realistic membrane environment: insight into helix-helix interactions in membrane proteinsQ44974388
Coarse-grained model for phospholipid/cholesterol bilayerQ45139908
Sequence determinants of a transmembrane proton channel: an inverse relationship between stability and functionQ45284466
Helix tilt of the M2 transmembrane peptide from influenza A virus: an intrinsic propertyQ45745250
How pH opens a H+ channel: the gating mechanism of influenza A M2.Q46843291
The MARTINI Coarse-Grained Force Field: Extension to Proteins.Q47741405
Transmembrane helix prediction: a comparative evaluation and analysis.Q51972287
Influence of amantadine resistance mutations on the pH regulatory function of the M2 protein of influenza A virusesQ54256724
The final stages of folding of the membrane protein bacteriorhodopsin occur by kinetically indistinguishable parallel folding paths that are mediated by pH 1 1Edited by A. R. FershtQ57905244
G Protein-Coupled Receptors Self-Assemble in Dynamics Simulations of Model BilayersQ59176772
Intermediates in the folding of the membrane protein bacteriorhodopsinQ59488899
Coarse-Grained Model of Proteins Incorporating Atomistic Detail of the Active SiteQ64032837
Membrane protein folding and oligomerization: the two-stage modelQ67662788
An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamiliesQ71877338
Asparagine-mediated self-association of a model transmembrane helixQ73402361
P433issue8
P407language of work or nameEnglishQ1860
P921main subjectself-assemblyQ910150
P304page(s)3790-3801
P577publication date2008-07-11
P1433published inBiophysical JournalQ2032955
P1476titleSelf-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel
P478volume95

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cites work (P2860)
Q28485272Assembly of the transmembrane domain of E. coli PhoQ histidine kinase: implications for signal transduction from molecular simulations
Q37773796Coarse grained molecular dynamics simulations of transmembrane protein-lipid systems.
Q40575932Conformational Response of Influenza A M2 Transmembrane Domain to Amantadine Drug Binding at Low pH (pH 5.5).
Q37876360Fluorescence spectroscopy and molecular dynamics simulations in studies on the mechanism of membrane destabilization by antimicrobial peptides.
Q33933329Folding and assembly of TMD 6-related segments of DMT 1 in trifluoroethanol aqueous solution
Q57129265Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites
Q37282382Identification of the functional core of the influenza A virus A/M2 proton-selective ion channel
Q38639224Interaction between the NS4B amphipathic helix, AH2, and charged lipid headgroups alters membrane morphology and AH2 oligomeric state--Implications for the Hepatitis C virus life cycle.
Q46006059Lipid molecules can induce an opening of membrane-facing tunnels in cytochrome P450 1A2.
Q34054370Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach
Q37263813Membrane perturbation action mode and structure-activity relationships of Protonectin, a novel antimicrobial peptide from the venom of the neotropical social wasp Agelaia pallipes pallipes
Q57235419Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system
Q30443341Modeling and simulation of ion channels
Q48311618Molecular simulations of self-assembly processes in metal-organic frameworks: Model dependence.
Q38082490Multi-resolution simulation of biomolecular systems: a review of methodological issues
Q38017092On developing coarse-grained models for biomolecular simulation: a review
Q57975273On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer
Q40896861Patch formation of a viral channel forming protein within a lipid membrane--Vpu of HIV-1.
Q38109488Perspective on the Martini model.
Q30370486Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approach.
Q40768068Probing the oligomeric state and interaction surfaces of Fukutin-I in dilauroylphosphatidylcholine bilayers.
Q54712307Simulations of the c-subunit of ATP-synthase reveal helix rearrangements.
Q41296831Stability and membrane orientation of the fukutin transmembrane domain: a combined multiscale molecular dynamics and circular dichroism study
Q37091337Structure and Mechanism of the Influenza A M218-60 Dimer of Dimers
Q36410326Systematic multiscale simulation of membrane protein systems
Q37293306The 3-dimensional structure of a hepatitis C virus p7 ion channel by electron microscopy
Q40896594The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations.

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