記事
Tautomeric Effect of Histidine on β-Sheet Formation of Amyloid Beta 1–40: 2D-IR Simulations
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Tautomeric Effect of Histidine on β-Sheet Formation of Amyloid Beta 1–40: 2D-IR Simulations
- 資料種別
- 記事
- 著者
- Yeonsig Namほか
- 出版者
- Elsevier BV
- 出版年
- 2020-08
- 資料形態
- デジタル
- 掲載誌名
- Biophysical Journal 119 4
- 掲載ページ
- p.831-842
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デジタル
- 資料種別
- 記事
- 著者標目
- 出版年月日等
- 2020-08
- 出版年(W3CDTF)
- 2020-08
- タイトル(掲載誌)
- Biophysical Journal
- 巻号年月日等(掲載誌)
- 119 4
- 掲載巻
- 119
- 掲載号
- 4
- 掲載ページ
- 831-842
- 掲載年月日(W3CDTF)
- 2020-08
- ISSN(掲載誌)
- 00063495
- 出版事項(掲載誌)
- Elsevier BV
- 件名標目
- 対象利用者
- 一般
- DOI
- 10.1016/j.bpj.2020.07.009
- 作成日(W3CDTF)
- 2020-07-18
- 著作権情報
- https://www.elsevier.com/tdm/userlicense/1.0/http://www.elsevier.com/open-access/userlicense/1.0/
- 関連情報(URI)
- 参照
- Hyperphosphorylation induces self-assembly of τ into tangles of paired helical filaments/straight filamentsDictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical featuresComparison of multiple Amber force fields and development of improved protein backbone parametersCanonical sampling through velocity rescalingEnzyme Activities in Relation to pH and Lactate in Postmortem Brain in Alzheimer‐Type and Other <i>Dementias</i>Hydrogen Bond Dynamics in Water and Ultrafast Infrared Spectroscopy: A Theoretical StudyIntrinsic Origin of Amyloid Aggregation: Collective Effects of the Mutation and Tautomerism of HistidineStructural and Binding Properties on Aβ Mature Fibrils Due to the Histidine Tautomeric EffectThe correlation between neurotoxicity, aggregative ability and secondary structure studied by sequence truncated Aβ peptidesFrequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and SimulationsTautomeric Effect of Histidine on the Monomeric Structure of Amyloid β-Peptide(1–42)Model calculations on the amide-I infrared bands of globular proteinsComputational approaches to understanding protein aggregation in neurodegenerationHow accurate are your simulations? Effects of confined aqueous volume and AMBER FF99SB and CHARMM22/CMAP force field parameters on structural ensembles of intrinsically disordered proteins: Amyloid-β<sub>42</sub>in waterA Solid State<sup>13</sup>C NMR, Crystallographic, and Quantum Chemical Investigation of Chemical Shifts and Hydrogen Bonding in Histidine DipeptidesTautomerization Effect of Histidines on Oligomer Aggregation of β-Amyloid(1–40/42) during the Early Stage: Tautomerism Hypothesis for Misfolding Protein AggregationHyperhomocysteinemia Increases β-Amyloid by Enhancing Expression of γ-Secretase and Phosphorylation of Amyloid Precursor Protein in Rat BrainTransition Dipoles from 1D and 2D Infrared Spectroscopy Help Reveal the Secondary Structures of Proteins: Application to AmyloidsAssessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations2D IR Spectroscopy of Histidine: Probing Side-Chain Structure and Dynamics via Backbone Amide VibrationsEffects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ<sub>16–22</sub> DimerTwo-dimensional infrared study of 3-azidopyridine as a potential spectroscopic reporter of protonation stateFluctuations and Relaxation Dynamics of Liquid Water Revealed by Linear and Nonlinear SpectroscopyTheory of coherent two-dimensional vibrational spectroscopyGROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputersAssessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pHLocating folds of the in-register parallel β-sheet of the Sup35p prion domain infectious amyloidMolecular Simulations of Human and Mouse Aβ<sub>1–16</sub> at Different pH Values: Structural Characteristics toward Understanding Cu<sup>2+</sup>‐Coordinated Amyloid Beta SpheresVibrational Spectroscopy of N<sub>3</sub><sup>–</sup> in the Gas and Condensed Phase2D IR provides evidence for mobile water molecules in β-amyloid fibrilsSite-specific examination of secondary structure and orientation determination in membrane proteins: The peptidic13C?18O group as a novel infrared probeStrategies for Extracting Structural Information from 2D IR Spectroscopy of Amyloid: Application to Islet Amyloid PolypeptideProbing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR SpectroscopyTautomeric Effect of Histidine on the Monomeric Structure of Amyloid β-Peptide(1–40)Not All β-Sheets Are the Same: Amyloid Infrared Spectra, Transition Dipole Strengths, and Couplings Investigated by 2D IR SpectroscopyIntrinsic origin of amyloid aggregation: Behavior of histidine (εεε) and (δδδ) tautomer homodimers of Aβ (1–40)Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water modelsThe Alzheimer’s Peptides Aβ40 and 42 Adopt Distinct Conformations in Water: A Combined MD / NMR StudyPolymorphic Fibril Formation by Residues 10–40 of the Alzheimer’s β-Amyloid PeptideAll-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsVMD: Visual molecular dynamicsWidespread Protein Aggregation as an Inherent Part of Aging in C. elegansFrequency-frequency correlation functions and apodization in two-dimensional infrared vibrational echo spectroscopy: A new approachAmide I modes of tripeptides: Hessian matrix reconstruction and isotope effectsAssembly and aggregation properties of synthetic Alzheimer's A4/beta amyloid peptide analogs.Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di- and tripeptides and considerations on the conformation of the extended helixCorrelation between electronic and molecular structure distortions and vibrational properties. II. Amide I modes of NMA–nD2O complexesAtomic-Level Characterization of the Ensemble of the Aβ(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral AlgorithmsLocal Amide I Mode Frequencies and Coupling Constants in PolypeptidesSite-Specific Orientation of an α-Helical Peptide Ovispirin-1 from Isotope-Labeled SFG SpectroscopyZn<sup>2+</sup> Effect on Structure and Residual Hydrophobicity of Amyloid β-Peptide MonomersIntermolecular Interaction Effects in the Amide I Vibrations of β PolypeptidesMeasurement of histidine pK<sub>a</sub>values and tautomer populations in invisible protein statesMolecular Dynamics Simulations of Alzheimer's β-Amyloid ProtofilamentsStructures of the Amyloid β-Peptides Aβ<sub>1–40</sub> and Aβ<sub>1–42</sub> as Influenced by pH and a <scp>d</scp>-PeptideThe Amyloid Hypothesis of Alzheimer's Disease: Progress and Problems on the Road to TherapeuticsCoupling of the Amide I Modes of the Glycine Dipeptide
- 連携機関・データベース
- 国立情報学研究所 : CiNii Research
- 提供元機関・データベース
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