The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations (Q37266621)

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scientific article published on 07 October 2008

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English	The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations	scientific article published on 07 October 2008

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scholarly article

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15 January 2020

The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations (English)

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15 January 2020

Alzheimer's disease

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1

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Joan-Emma Shea

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Zhixiang Wang

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Hongxing Lei

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Yong Duan

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Michael T Bowers

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7 October 2008

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Journal of Molecular Biology

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384

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718-729

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describes a project that uses

molecular dynamics simulation

1 reference

based on heuristic

inferred from title

Temperature-induced dissociation of Abeta monomers from amyloid fibril

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6 September 2017

Recent advances in the development of amyloid imaging agents.

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6 September 2017

Calculation of protein-ligand binding affinities.

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6 September 2017

Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage dock-lock mechanism.

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6 September 2017

Phenol red interacts with the protofibril-like oligomers of an amyloidogenic hexapeptide NFGAIL through both hydrophobic and aromatic contacts.

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6 September 2017

Stability and structure of oligomers of the Alzheimer peptide Abeta16-22: from the dimer to the 32-mer

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6 September 2017

Protein misfolding, functional amyloid, and human disease

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6 September 2017

Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments

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6 September 2017

Mechanism of thioflavin T binding to amyloid fibrils.

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6 September 2017

The role of Phe in the formation of well-ordered oligomers of amyloidogenic hexapeptide (NFGAIL) observed in molecular dynamics simulations with explicit solvent

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6 September 2017

The binding of thioflavin-T to amyloid fibrils: localisation and implications

1 reference

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6 September 2017

Aqueous urea solution destabilizes Abeta(16-22) oligomers

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6 September 2017

Formation of partially ordered oligomers of amyloidogenic hexapeptide (NFGAIL) in aqueous solution observed in molecular dynamics simulations

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Development and testing of a general amber force field

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6 September 2017

Principles of protein folding, misfolding and aggregation

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6 September 2017

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

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A structural model for Alzheimer's beta -amyloid fibrils based on experimental constraints from solid state NMR

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6 September 2017

Stabilities and conformations of Alzheimer's beta -amyloid peptide oligomers (Abeta 16-22, Abeta 16-35, and Abeta 10-35): Sequence effects

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6 September 2017

Ideas of order for amyloid fibril structure

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A lipophilic thioflavin-T derivative for positron emission tomography (PET) imaging of amyloid in brain

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Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

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6 September 2017

Alzheimer's disease amyloid propagation by a template-dependent dock-lock mechanism

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6 September 2017

Congo red and thioflavin-T analogs detect Abeta oligomers

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14 September 2017

Oligomerization of amyloid Abeta16-22 peptides using hydrogen bonds and hydrophobicity forces

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Quantitative evaluation of congo red binding to amyloid-like proteins with a beta-pleated sheet conformation

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On the binding of Thioflavin-T to HET-s amyloid fibrils assembled at pH 2.

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Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations.

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Dual binding modes of Congo red to amyloid protofibril surface observed in molecular dynamics simulations

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Atomic-level description of amyloid beta-dimer formation

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3 September 2018

Elongation of ordered peptide aggregate of an amyloidogenic hexapeptide NFGAIL observed in molecular dynamics simulations with explicit solvent

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Multiple ligand binding sites on A beta(1-40) fibrils

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Evidence for the presence of three distinct binding sites for the thioflavin T class of Alzheimer's disease PET imaging agents on beta-amyloid peptide fibrils.

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3 September 2018

Solid state NMR reveals a pH-dependent antiparallel beta-sheet registry in fibrils formed by a beta-amyloid peptide

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3 September 2018

Uncharged thioflavin-T derivatives bind to amyloid-beta protein with high affinity and readily enter the brain

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3 September 2018

Quantifying amyloid beta-peptide (Abeta) aggregation using the Congo red-Abeta (CR-abeta) spectrophotometric assay.

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3 September 2018

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20 October 2018

Amyloid fibril formation by A beta 16-22, a seven-residue fragment of the Alzheimer's beta-amyloid peptide, and structural characterization by solid state NMR

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20 October 2018

[18] Quantification of β-sheet amyloid fibril structures with thioflavin T

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https://pubmed.ncbi.nlm.nih.gov/18851978

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Study on the binding of Thioflavin T to β-sheet-rich and non-β-sheet cavities

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Binding mode of Thioflavin T in insulin amyloid fibrils

1 reference

https://pubmed.ncbi.nlm.nih.gov/18851978

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1016/J.JMB.2008.09.062

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15 January 2020

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15 January 2020

1 reference

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15 January 2020

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