Structure of condensed phase peptides: insights from vibrational circular dichroism and Raman optical activity techniques
TA Keiderling - Chemical reviews, 2020 - ACS Publications
Peptides and proteins are naturally chiral molecular systems so that sensing their structure
and conformation with chirality-based spectral methods is an obvious and long-used …
and conformation with chirality-based spectral methods is an obvious and long-used …
Understanding amyloid fibril formation using protein fragments: structural investigations via vibrational spectroscopy and solid-state NMR
It is well established that amyloid proteins play a primary role in neurodegenerative
diseases. Alzheimer's, Parkinson's, type II diabetes, and Creutzfeldt-Jakob's diseases are …
diseases. Alzheimer's, Parkinson's, type II diabetes, and Creutzfeldt-Jakob's diseases are …
Is supramolecular filament chirality the underlying cause of major morphology differences in amyloid fibrils?
The unique enhanced sensitivity of vibrational circular dichroism (VCD) to the formation and
development of amyloid fibrils in solution is extended to four additional fibril-forming proteins …
development of amyloid fibrils in solution is extended to four additional fibril-forming proteins …
Kinetic intermediates in amyloid assembly
In contrast to an expected Ostwald-like ripening of amyloid assemblies, the nucleating core
of the Dutch mutant of the Aβ peptide of Alzheimer's disease assembles through a series of …
of the Dutch mutant of the Aβ peptide of Alzheimer's disease assembles through a series of …
Infrared, vibrational circular dichroism, and Raman spectral simulations for β-sheet structures with various isotopic labels, interstrand, and stacking arrangements …
Infrared (IR), Raman, and vibrational circular dichroism (VCD) spectral variations for different
β-sheet structures were studied using simulations based on density functional theory (DFT) …
β-sheet structures were studied using simulations based on density functional theory (DFT) …
The Amide I spectrum of proteins—Optimization of transition dipole coupling parameters using density functional theory calculations
CM Baronio, A Barth - The Journal of Physical Chemistry B, 2020 - ACS Publications
The amide I region of the infrared spectrum is related to the protein backbone conformation
and can provide important structural information. However, the interpretation of the …
and can provide important structural information. However, the interpretation of the …
Empirical maps for the calculation of amide I vibrational spectra of proteins from classical molecular dynamics simulations
E Małolepsza, JE Straub - The Journal of Physical Chemistry B, 2014 - ACS Publications
New sets of parameters (maps) for calculating amide I vibrational spectra for proteins
through a vibrational exciton model are proposed. The maps are calculated as a function of …
through a vibrational exciton model are proposed. The maps are calculated as a function of …
The interplay of aggregation, fibrillization and gelation of an unexpected low molecular weight gelator: glycylalanylglycine in ethanol/water
S Farrell, D DiGuiseppi, N Alvarez… - Soft Matter, 2016 - pubs.rsc.org
Hydrogels formed by polypeptides could be much-favored tools for drug delivery because
their main ingredients are generally biodegradable. However, the gelation of peptides in …
their main ingredients are generally biodegradable. However, the gelation of peptides in …
Chirality and chiroptical properties of amyloid fibrils
W Dzwolak - Chirality, 2014 - Wiley Online Library
Chirality of amyloid fibrils‐linear beta‐sheet‐rich aggregates of misfolded protein chains‐
often manifests in morphological traits such as helical twist visible in atomic force …
often manifests in morphological traits such as helical twist visible in atomic force …
Insight into the Packing Pattern of β2 Fibrils: A Model Study of Glutamic Acid Rich Oligomers with 13C Isotopic Edited Vibrational Spectroscopy
Polyglutamic acid at low pH forms aggregates and self-assembles into a spiral, fibril-like
superstructure formed as a β2-type sheet conformation that has a more compact intersheet …
superstructure formed as a β2-type sheet conformation that has a more compact intersheet …