The importance of steric zipper on the aggregation of the MVGGVV peptide derived from the amyloid β peptide

LK Chang, JH Zhao, HL Liu, JW Wu… - Journal of …, 2010 - Taylor & Francis
Amyloid-like fibrils are found in many fatal diseases, such as Alzheimer's disease,
Parkinson's disease, type II diabetes mellitus, and prion diseases. Recently, the structural …

Molecular dynamics simulations to investigate the structural stability and aggregation behavior of the GGVVIA oligomers derived from amyloid β peptide

LK Chang, JH Zhao, HL Liu, KT Liu… - Journal of …, 2009 - Taylor & Francis
Several neurodegenerative diseases, such as Alzheimer's, Parkinson's, and Huntington's
dis-eases, are associated with amyloid fibrils formed by different polypeptides. Recently, the …

Insight into the stability of cross‐β amyloid fibril from molecular dynamics simulation

Y Chen, YJ He, M Wu, G Yan, Y Li… - Biopolymers …, 2010 - Wiley Online Library
Amyloid fibrils are considered to play causal roles in the pathogenesis of amyloid‐related
degenerative diseases such as Alzheimer's disease, type II diabetes mellitus, the …

Impact of sequence on the molecular assembly of short amyloid peptides

VA Wagoner, M Cheon, I Chang… - … : Structure, Function, and …, 2014 - Wiley Online Library
The goal of this work is to understand how the sequence of a protein affects the likelihood
that it will form an amyloid fibril and the kinetics along the fibrillization pathway. The focus is …

Can molecular dynamics simulations assist in design of specific inhibitors and imaging agents of amyloid aggregation? Structure, stability and free energy predictions …

WM Berhanu, AE Masunov - Journal of molecular modeling, 2011 - Springer
The aggregation modes of hexapeptide fragments of Tau, Insulin and Aβ peptide (VQIVYK,
MVGGVV and LYQLEN) were found from their microcrystalline structures that had been …

Insight into the stability of cross-β amyloid fibril from VEALYL short peptide with molecular dynamics simulation

W Ye, Y Chen, W Wang, Q Yu, Y Li, J Zhang… - PLoS One, 2012 - journals.plos.org
Amyloid fibrils are found in many fatal neurodegenerative diseases such as Alzheimer's
disease, Parkinson's disease, type II diabetes, and prion disease. The VEALYL short peptide …

The self-assembly mechanism of tetra-peptides from the motif of β-amyloid peptides: A combined coarse-grained and all-atom molecular dynamics simulation

L Liang, LW Wang, JW Shen - Rsc Advances, 2016 - pubs.rsc.org
Understanding the self-assembly mechanisms of peptides into nanostructures is essential
for the rational design of bio-nanomaterials. Moreover, the natural fiber formation of …

Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent

Y Lu, P Derreumaux, Z Guo… - Proteins: Structure …, 2009 - Wiley Online Library
Aggregation of the full‐length amyloid‐β (Aβ) and β2‐microglobulin (β2m) proteins is
associated with Alzheimer's disease and dialysis‐related amyloidosis, respectively. This …

Emergence of barrel motif in amyloid-β trimer: a computational study

HL Nguyen, HQ Linh, P Matteini… - The Journal of …, 2020 - ACS Publications
Amyloid-β (Aβ) peptides form assemblies that are pathological hallmarks of Alzheimer's
disease. Aβ oligomers are soluble, mobile, and toxic forms of the peptide that act in the …

Molecular dynamics studies of hexamers of amyloid‐β peptide (16–35) and its mutants: Influence of charge states on amyloid formation

W Han, YD Wu - Proteins: Structure, Function, and …, 2007 - Wiley Online Library
To study the early stage of amyloid‐β peptide (Aβ) aggregation, hexamers of the wild‐type
(WT) Aβ16–35 and its mutants with amyloid‐like conformations have been studied by …