Molecular dynamics simulation-based understanding of the structure and property of amyloid proteins at multiple length scales

K Eom - JMST Advances, 2023 - Springer
Amyloid proteins, which are known as unstructured protein, are able to self-aggregate to
form amyloid fibrils, which are related to pathogenesis of various diseases ranging from …

Monitoring early-stage β-amyloid dimer aggregation by histidine site-specific two-dimensional infrared spectroscopy in a simulation study

S Chatterjee, Y Nam, A Salimi, JY Lee - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Monitoring early-stage β-amyloid (Aβ) dimerization is a formidable challenge for
understanding neurological diseases. We compared β-sheet formation and histidine site …

Exposure to the electric field: A potential way to block the aggregation of histidine tautomeric isomers of β-amyloid

A Salimi, S Chatterjee, JY Lee - International Journal of Biological …, 2023 - Elsevier
Controlling protein misfolding and accumulation in neurodegeneration is a challenge in
chemical neuroscience. The application of appropriate electric fields (EFs) can be a …

Solid-state separation of hypoxanthine tautomers through a doping strategy

R Xue, C Liang, Y Li, X Chen, F Li, S Ren, F Chen - CrystEngComm, 2022 - pubs.rsc.org
Hypoxanthine is the doping component in anhydrous guanine β (AG β) biominerals. In this
work, hypoxanthine was doped into all the reported guanine phases by solution methods …

Mechanistic insights into the polymorphic associations and cross-seeding of Aβ and hIAPP in the presence of histidine tautomerism: an all-atom molecular dynamic …

A Salimi, S Chatterjee, JY Lee - International Journal of Molecular …, 2022 - mdpi.com
Hundreds of millions of people around the world have been affected by Type 2 diabetes
(T2D) which is a metabolic disorder. Clinical research has revealed T2D as a possible risk …

The effect of histidine behaviors on the structural properties of Aβ (1–42) peptide in protonation stage one, two, and three

Y Sun, C Li, J Wang, H Shi - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Histidine behaviors (including tautomeric and protonation behaviors, and integration on ε, δ,
or p states) have been linked to protein folding and misfolding. However, the histidine …

Histidine tautomerism-mediated transthyretin amyloidogenesis: A molecular insight

S Chatterjee, A Salimi, JY Lee - Archives of Biochemistry and Biophysics, 2023 - Elsevier
Abstract Characterization of the conformational alterations involved in monomer misfolding
is essential for elucidating the molecular basis of the initial stage of protein accumulation …

Intermolecular Interactions between Aromatic Amino Acids Investigated by Ultraviolet Photodissociation Spectroscopy of Hydrogen-Bonded Clusters of Histidine and …

K Kitahashi, A Fujihara - Mass Spectrometry, 2024 - jstage.jst.go.jp
Intermolecular interactions between aromatic amino acids were investigated by ultraviolet
photodissociation spectroscopy of hydrogen-bonded protonated clusters of histidine (His) …