Amyloid oligomers: A joint experimental/computational perspective on Alzheimer's disease, Parkinson's disease, type II diabetes, and amyotrophic lateral sclerosis
PH Nguyen, A Ramamoorthy, BR Sahoo… - Chemical …, 2021 - ACS Publications
Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …
Amyloid β protein and Alzheimer's disease: When computer simulations complement experimental studies
J Nasica-Labouze, PH Nguyen, F Sterpone… - Chemical …, 2015 - ACS Publications
Alzheimer's disease (AD) challenges our society with an annual estimated cost of $1.08
trillion in the United States alone by 2050. 1 AD is a progressive irreversible neurological …
trillion in the United States alone by 2050. 1 AD is a progressive irreversible neurological …
Competing interactions give rise to two-state behavior and switch-like transitions in charge-rich intrinsically disordered proteins
The most commonly occurring intrinsically disordered proteins (IDPs) are polyampholytes,
which are defined by the duality of low net charge per residue and high fractions of charged …
which are defined by the duality of low net charge per residue and high fractions of charged …
[HTML][HTML] Finding low-energy conformations of lattice protein models by quantum annealing
A Perdomo-Ortiz, N Dickson, M Drew-Brook, G Rose… - Scientific reports, 2012 - nature.com
Lattice protein folding models are a cornerstone of computational biophysics. Although
these models are a coarse grained representation, they provide useful insight into the …
these models are a coarse grained representation, they provide useful insight into the …
Role of water in protein aggregation and amyloid polymorphism
A variety of neurodegenerative diseases are associated with amyloid plaques, which begin
as soluble protein oligomers but develop into amyloid fibrils. Our incomplete understanding …
as soluble protein oligomers but develop into amyloid fibrils. Our incomplete understanding …
Virtual screening for dipeptide aggregation: toward predictive tools for peptide self-assembly
PWJM Frederix, RV Ulijn, NT Hunt… - The journal of physical …, 2011 - ACS Publications
Several short peptide sequences are known to self-assemble into supramolecular
nanostructures with interesting properties. In this study, coarse-grained molecular dynamics …
nanostructures with interesting properties. In this study, coarse-grained molecular dynamics …
Crucial role of nonspecific interactions in amyloid nucleation
Protein oligomers have been implicated as toxic agents in a wide range of amyloid-related
diseases. However, it has remained unsolved whether the oligomers are a necessary step in …
diseases. However, it has remained unsolved whether the oligomers are a necessary step in …
Coarse-grained models for protein aggregation
The aggregation of soluble proteins into fibrillar species is a complex process that spans
many lengths and time scales, and that involves the formation of numerous on-pathway and …
many lengths and time scales, and that involves the formation of numerous on-pathway and …
Inhibition of aggregation of amyloid peptides by beta-sheet breaker peptides and their binding affinity
The effects of beta-sheet breaker peptides KLVFF and LPFFD on the oligomerization of
amyloid peptides were studied by all-atom simulations. It was found that LPFFD interferes …
amyloid peptides were studied by all-atom simulations. It was found that LPFFD interferes …
Computational studies of protein aggregation: methods and applications
A Morriss-Andrews, JE Shea - Annual review of physical …, 2015 - annualreviews.org
Protein aggregation involves the self-assembly of normally soluble proteins into large
supramolecular assemblies. The typical end product of aggregation is the amyloid fibril, an …
supramolecular assemblies. The typical end product of aggregation is the amyloid fibril, an …