Dissecting the molecular mechanisms of the co-aggregation of Aβ40 and Aβ42 peptides: a REMD simulation study
The aggregation of amyloid-β protein (Aβ) into oligomers and amyloid fibrils is closely
related to Alzheimer's disease (AD). Aβ40 and Aβ42, as two most prominent isoforms of Aβ …
related to Alzheimer's disease (AD). Aβ40 and Aβ42, as two most prominent isoforms of Aβ …
Aggregation of disease-related peptides
PH Nguyen, F Sterpone, P Derreumaux - Progress in Molecular Biology …, 2020 - Elsevier
Protein misfolding and aggregation of amyloid proteins is the fundamental cause of more
than 20 diseases. Molecular mechanisms of the self-assembly and the formation of the toxic …
than 20 diseases. Molecular mechanisms of the self-assembly and the formation of the toxic …
The double-layered structure of amyloid-β assemblage on GM1-containing membranes catalytically promotes fibrillization
Alzheimer's disease (AD) is associated with progressive accumulation of amyloid-β (Aβ)
cross-β fibrils in the brain. Aβ species tightly associated with GM1 ganglioside, a …
cross-β fibrils in the brain. Aβ species tightly associated with GM1 ganglioside, a …
Dissecting how ALS-associated D290V mutation enhances pathogenic aggregation of hnRNPA2286–291 peptides: Dynamics and conformational ensembles
The aggregation of RNA binding proteins, including hnRNPA1/2, TDP-43 and FUS, is
heavily implicated in causing or increasing disease risk for a series of neurodegenerative …
heavily implicated in causing or increasing disease risk for a series of neurodegenerative …
Mechanistic insights into the co-aggregation of Aβ and hIAPP: an all-atom molecular dynamic study
Patients with Alzheimer's disease (AD) have a high risk of developing Type II diabetes
(T2D). The co-aggregation of the two disease-related proteins, Aβ and hIAPP, has been …
(T2D). The co-aggregation of the two disease-related proteins, Aβ and hIAPP, has been …
Multistep molecular mechanisms of Aβ16-22 fibril formation revealed by lattice Monte Carlo simulations
PH Nguyen, P Derreumaux - The Journal of Chemical Physics, 2023 - pubs.aip.org
As a model of self-assembly from disordered monomers to fibrils, the amyloid-β fragment
Aβ16-22 was subject to past numerous experimental and computational studies. Because …
Aβ16-22 was subject to past numerous experimental and computational studies. Because …
Structural insights into the co-aggregation of Aβ and tau amyloid core peptides: revealing potential pathological heterooligomers by simulations
The self-aggregation of amyloid-β (Aβ) and tau proteins are closely implicated in Alzheimer's
disease (AD). Recent evidence indicates that Aβ and tau proteins can cross-interact to form …
disease (AD). Recent evidence indicates that Aβ and tau proteins can cross-interact to form …
Dissecting the Effect of ALS Mutation G335D on the Early Aggregation of the TDP-43 Amyloidogenic Core Peptide: Helix-to-β-Sheet Transition and Conformational …
The aggregation of TAR DNA-binding protein of 43 kDa (TDP-43) into fibrillary deposits is
associated with amyotrophic lateral sclerosis (ALS). The 311–360 fragment of TDP-43 (TDP …
associated with amyotrophic lateral sclerosis (ALS). The 311–360 fragment of TDP-43 (TDP …
Multiscale Exploration of Concentration-Dependent Amyloid-β (16-21) Amyloid Nucleation
X Tang, W Han - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
Atomic descriptions of peptide aggregation nucleation remain lacking due to the difficulty of
exploring complex configurational spaces on long time scales. To elucidate this process, we …
exploring complex configurational spaces on long time scales. To elucidate this process, we …
Influence of ALS‐linked M337V mutation on the conformational ensembles of TDP‐43321–340 peptide monomer and dimer
The transactive response (TAR) DNA/RNA‐binding protein 43 (TDP‐43) can self‐assemble
into both functional stress granules via liquid–liquid phase separation (LLPS) and …
into both functional stress granules via liquid–liquid phase separation (LLPS) and …