Investigation of the interaction of amyloid β peptide (11–42) oligomers with a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membrane using molecular dynamics simulation

2018 ◽  
Vol 20 (10) ◽  
pp. 6817-6829 ◽  
Author(s):  
Ning Xiang ◽  
Yuan Lyu ◽  
Xiao Zhu ◽  
Ganesan Narsimhan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Pore Formation ◽  
Amyloid Β ◽  
Dynamics Simulation ◽  
Amyloid Β Peptide ◽  
Aβ Oligomers ◽  
Aβ Peptides ◽  
Amyloid Aβ ◽  
Β Amyloid

The mechanism of pore formation in model neural cell membranes by β amyloid (Aβ) peptides was investigated using molecular dynamics simulation which indicated that Aβ oligomers of size equal or greater than 3 has a higher tendency for pore formation than monomers and that cholesterol tends to retard Aβ binding and insertion into the membrane.

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

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100072-100078 ◽  
Author(s):  
Lijun Liang ◽  
Li-Wei Wang ◽  
Jia-Wei Shen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Self Assembly ◽  
The Self ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Aβ Peptides ◽  
Amyloid Peptides ◽  
Assembly Mechanism ◽  
Β Amyloid

Understanding the self-assembly mechanisms of tetra-peptides from Aβ-peptides into different nanostructures.

Mechanisms of Melatonin Binding and Destabilizing Protofilament and Filament of Tau R3-R4 Domains Revealed by Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Lili Zhu ◽  
Yehong Gong ◽  
Hao Lju ◽  
Gongwu Sun ◽  
Qingwen Zhang ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tau Protein ◽  
Dynamics Simulation ◽  
Pathological Characteristics ◽  
Amyloid Aβ ◽  
Β Amyloid

The accumulations of β-amyloid (Aβ) and tau protein are considered as two important pathological characteristics of Alzheimer's disease (AD). Failures of medicine targeting Aβ have drawn more attention to tau...

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