scholarly journals Ligand field molecular dynamics simulation of Pt(II)-phenanthroline binding to N-terminal fragment of amyloid-β peptide

PLoS ONE ◽  
2018 ◽  
Vol 13 (3) ◽  
pp. e0193668 ◽  
Author(s):  
Matthew Turner ◽  
Shaun T. Mutter ◽  
Robert J. Deeth ◽  
James A. Platts
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amyloid Β ◽  
Dynamics Simulation ◽  
Ligand Field ◽  
Amyloid Β Peptide ◽  
Terminal Fragment

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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