Insights into Aβ aggregation: A molecular dynamics perspective
This article reviews recent molecular dynamics simulations of the Alzheimer's amyloid-β
protein, the primary component of the amyloid plaques found in the brain of Alzheimer's …
protein, the primary component of the amyloid plaques found in the brain of Alzheimer's …
Simulations as analytical tools to understand protein aggregation and predict amyloid conformation
B Ma, R Nussinov - Current opinion in chemical biology, 2006 - Elsevier
Computational tools are increasingly being applied to solve the protein aggregation
problem, providing insight into amyloid structures and aggregation mechanisms. The …
problem, providing insight into amyloid structures and aggregation mechanisms. The …
Exploring amyloid-β dimer structure using molecular dynamics simulations
B Mehrazma, A Rauk - The Journal of Physical Chemistry A, 2019 - ACS Publications
A major hallmark of Alzheimer's disease (AD) is the aggregation of amyloid-β peptides in the
brains of people afflicted by the disease. The exact pathway to this catastrophic event is …
brains of people afflicted by the disease. The exact pathway to this catastrophic event is …
A brief history of amyloid aggregation simulations
Amyloid proteins are characterized by their tendency to aggregate into amyloid fibrils, which
are often associated with devastating diseases. Aggregation pathways typically involve …
are often associated with devastating diseases. Aggregation pathways typically involve …
Perspective for Molecular Dynamics Simulation Studies of Amyloid-β Aggregates
H Okumura - The Journal of Physical Chemistry B, 2023 - ACS Publications
The cause of Alzheimer's disease is related to aggregates such as oligomers and amyloid
fibrils consisting of amyloid-β (Aβ) peptides. Molecular dynamics (MD) simulation studies …
fibrils consisting of amyloid-β (Aβ) peptides. Molecular dynamics (MD) simulation studies …
The role of molecular simulations in the development of inhibitors of amyloid β-peptide aggregation for the treatment of Alzheimer's disease
The pathogenic aggregation of the amyloid β-peptide (Aβ) is considered a hallmark of the
progression of Alzheimer's disease, the leading cause of senile dementia in the elderly and …
progression of Alzheimer's disease, the leading cause of senile dementia in the elderly and …
Advances in the simulation of protein aggregation at the atomistic scale
M Carballo-Pacheco, B Strodel - The journal of physical chemistry …, 2016 - ACS Publications
Protein aggregation into highly structured amyloid fibrils is associated with various diseases
including Alzheimer's disease, Parkinson's disease, and type II diabetes. Amyloids can also …
including Alzheimer's disease, Parkinson's disease, and type II diabetes. Amyloids can also …
Molecular simulations of amyloid beta assemblies
G Grasso, A Danani - Advances in Physics: X, 2020 - Taylor & Francis
Several neurodegenerative disorders arise from the abnormal protein aggregation in the
nervous tissue leading tointracellular inclusions or extracellular aggregates in specific brain …
nervous tissue leading tointracellular inclusions or extracellular aggregates in specific brain …
Amyloid aggregation simulations: challenges, advances and perspectives
B Strodel - Current opinion in structural biology, 2021 - Elsevier
In amyloid aggregation diseases soluble proteins coalesce into a wide array of undesirable
structures, ranging through oligomers and prefibrillar assemblies to highly ordered amyloid …
structures, ranging through oligomers and prefibrillar assemblies to highly ordered amyloid …
Pathways of amyloid-β aggregation depend on oligomer shape
One of the main research topics related to Alzheimer's disease is the aggregation of the
amyloid-β peptide, which was shown to follow different pathways for the two major alloforms …
amyloid-β peptide, which was shown to follow different pathways for the two major alloforms …