Molecular Dynamics Simulation and Computational Two-Dimensional Infrared Spectroscopic Study of Model Amyloid β-Peptide Oligomers

2013 ◽  
Vol 117 (29) ◽  
pp. 6373-6379 ◽  
Author(s):  
Jun Xu ◽  
John Z. H. Zhang ◽  
Yun Xiang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Spectroscopic Study ◽  
Amyloid Β ◽  
Dynamics Simulation ◽  
Amyloid Β Peptide ◽  
Infrared Spectroscopic Study ◽  
Two Dimensional ◽  
Infrared Spectroscopic

Infrared Spectroscopic Study of Ethylene Adsorbed on Silicalite: Experiments and Molecular Dynamics Simulation

Adsorption ◽  
2005 ◽  
Vol 11 (S1) ◽  
pp. 383-389 ◽  
Author(s):  
Veronique Bernardet ◽  
Armelle Decrette ◽  
Jean-Marc Simon ◽  
Odile Bertrand ◽  
Guy Weber ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Spectroscopic Study ◽  
Dynamics Simulation ◽  
Infrared Spectroscopic Study ◽  
Infrared Spectroscopic

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.

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