All-atom molecular dynamics studies of the full-length β-amyloid peptides
E Luttmann, G Fels - Chemical physics, 2006 - Elsevier
β-Amyloid peptides are believed to play an essential role in Alzheimer's disease (AD), due
to their sedimentation in the form of β-amyloid aggregates in the brain of AD-patients, and …
to their sedimentation in the form of β-amyloid aggregates in the brain of AD-patients, and …
Structures of the Alzheimer's wild-type Aβ1-40 dimer from atomistic simulations
B Tarus, TT Tran, J Nasica-Labouze… - The Journal of …, 2015 - ACS Publications
We have studied the dimer of amyloid beta peptide Aβ of 40 residues by means of all-atom
replica exchange molecular dynamics. The Aβ-dimers have been found to be the smallest …
replica exchange molecular dynamics. The Aβ-dimers have been found to be the smallest …
Structural diversity of dimers of the Alzheimer amyloid-β (25–35) peptide and polymorphism of the resulting fibrils
The 25–35 fragment of the Alzheimer amyloid β (Aβ) peptide is a naturally occurring
proteolytic by-product that retains the toxicity of its larger, better-known counterpart, Aβ (1 …
proteolytic by-product that retains the toxicity of its larger, better-known counterpart, Aβ (1 …
A Study of the α-Helical Intermediate Preceding the Aggregation of the Amino-Terminal Fragment of the β Amyloid Peptide (Aβ1–28)
The β amyloid (Aβ) peptide aggregates to form β-rich structures that are known to trigger
Alzheimer's disease. Experiments suggest that an α-helical intermediate precedes the …
Alzheimer's disease. Experiments suggest that an α-helical intermediate precedes the …
The Alzheimer β-amyloid (A β 1–39) dimer in an implicit solvent
P Anand, FS Nandel, UHE Hansmann - The Journal of chemical …, 2008 - pubs.aip.org
Oligomers of A β peptides are suspected as the underlying cause of Alzheimer disease.
Knowledge of their structural properties could therefore lead to a deeper understanding of …
Knowledge of their structural properties could therefore lead to a deeper understanding of …
Amyloid oligomer structure characterization from simulations: A general method
PH Nguyen, MS Li, P Derreumaux - The Journal of Chemical Physics, 2014 - pubs.aip.org
Amyloid oligomers and plaques are composed of multiple chemically identical proteins.
Therefore, one of the first fundamental problems in the characterization of structures from …
Therefore, one of the first fundamental problems in the characterization of structures from …
Modeling the α-helix to β-hairpin transition mechanism and the formation of oligomeric aggregates of the fibrillogenic peptide Aβ (12–28): insights from all-atom …
In this paper, all-atom molecular dynamics simulations in explicit solvent are used to
investigate the structural and dynamical determinants of the α-helical to β-hairpin …
investigate the structural and dynamical determinants of the α-helical to β-hairpin …
Comparative molecular dynamics studies of wild-type and oxidized forms of full-length Alzheimer amyloid β-peptides Aβ (1− 40) and Aβ (1− 42)
L Triguero, R Singh, R Prabhakar - The Journal of Physical …, 2008 - ACS Publications
In this study, all-atom 50 ns molecular dynamics simulations are performed on the full-length
amyloid beta (Aβ) monomers (WT-Aβ (1− 40) and WT-Aβ (1− 42)) and their oxidized forms …
amyloid beta (Aβ) monomers (WT-Aβ (1− 40) and WT-Aβ (1− 42)) and their oxidized forms …
Conformational features of the Aβ 42 peptide monomer and its interaction with the surrounding solvent
P Khatua, JC Jose, N Sengupta… - Physical Chemistry …, 2016 - pubs.rsc.org
Accumulation of the amyloid beta (Aβ) peptide in the brain is responsible for debilitating
neurodegenerative diseases, such as Alzheimer's disease (AD). We have carried out …
neurodegenerative diseases, such as Alzheimer's disease (AD). We have carried out …
[HTML][HTML] Stability of Iowa mutant and wild type Aβ-peptide aggregates
EJ Alred, EG Scheele, WM Berhanu… - The Journal of chemical …, 2014 - pubs.aip.org
Recent experiments indicate a connection between the structure of amyloid aggregates and
their cytotoxicity as related to neurodegenerative diseases. Of particular interest is the Iowa …
their cytotoxicity as related to neurodegenerative diseases. Of particular interest is the Iowa …