Simulation studies of amyloidogenic polypeptides and their aggregates
Amyloids, fibrillar assembly of (poly) peptide chains, are associated with neurodegenerative
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …
Alzheimer's disease: How metal ions define β-amyloid function
KP Kepp - Coordination Chemistry Reviews, 2017 - Elsevier
Alzheimer's disease is increasingly recognized to be linked to the function and status of
metal ions, and recently, the amyloid hypothesis has been strongly intertwined with the …
metal ions, and recently, the amyloid hypothesis has been strongly intertwined with the …
Molecular structure of Cu (II)-bound amyloid-β monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease
Metal ions, such as copper and zinc ions, have been shown to strongly modulate the self-
assembly of the amyloid-β (Aβ) peptide into insoluble fibrils, and elevated concentrations of …
assembly of the amyloid-β (Aβ) peptide into insoluble fibrils, and elevated concentrations of …
The liquid structure of elastin
S Rauscher, R Pomès - Elife, 2017 - elifesciences.org
The protein elastin imparts extensibility, elastic recoil, and resilience to tissues including
arterial walls, skin, lung alveoli, and the uterus. Elastin and elastin-like peptides are …
arterial walls, skin, lung alveoli, and the uterus. Elastin and elastin-like peptides are …
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer
We investigated the effects of 17 widely used atomistic molecular mechanics force fields
(MMFFs) on the structures and kinetics of amyloid peptide assembly. To this end, we …
(MMFFs) on the structures and kinetics of amyloid peptide assembly. To this end, we …
Different force fields give rise to different amyloid aggregation pathways in molecular dynamics simulations
The progress toward understanding the molecular basis of Alzheimers's disease is strongly
connected to elucidating the early aggregation events of the amyloid-β (Aβ) peptide …
connected to elucidating the early aggregation events of the amyloid-β (Aβ) peptide …
Comparison of force fields for Alzheimer's A: A case study for intrinsically disordered proteins
Intrinsically disordered proteins are essential for biological processes such as cell
signalling, but are also associated to devastating diseases including Alzheimer's disease …
signalling, but are also associated to devastating diseases including Alzheimer's disease …
Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment
The amlyoid-β peptide (Aβ) is closely linked to the development of Alzheimer's disease.
Molecular dynamics (MD) simulations have become an indispensable tool for studying the …
Molecular dynamics (MD) simulations have become an indispensable tool for studying the …
Molecular mechanisms of resveratrol and EGCG in the inhibition of Aβ 42 aggregation and disruption of Aβ 42 protofibril: Similarities and differences
The aggregation of amyloid-β protein (Aβ) into fibrillary deposits is implicated in Alzheimer's
disease (AD), and inhibiting Aβ aggregation and clearing Aβ fibrils are considered as …
disease (AD), and inhibiting Aβ aggregation and clearing Aβ fibrils are considered as …
Alzheimer's disease due to loss of function: A new synthesis of the available data
KP Kepp - Progress in neurobiology, 2016 - Elsevier
Alzheimer's Disease (AD) is a highly complex disease involving a broad range of clinical,
cellular, and biochemical manifestations that are currently not understood in combination …
cellular, and biochemical manifestations that are currently not understood in combination …