133Cs NMR and Molecular Dynamics Simulation on Bilayers of Cs+ Ion Binding to Aggregates of Fatty Acid Soap at High pH

Langmuir ◽  
2014 ◽  
Vol 30 (39) ◽  
pp. 11567-11573 ◽  
Author(s):  
Wenlong Xu ◽  
Heng Zhang ◽  
Shuli Dong ◽  
Jingcheng Hao
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acid ◽  
Molecular Dynamics Simulation ◽  
Fatty Acid Soap ◽  
Dynamics Simulation ◽  
Acid Soap ◽  
Ion Binding ◽  
High Ph ◽  
133Cs Nmr

Molecular Dynamics Simulation of 8-Oxoguanine Containing DNA Fragments Reveals Altered Hydration and Ion Binding Patterns.

2010 ◽  
Vol 114 (19) ◽  
pp. 6763-6763
Author(s):  
Aymeric Naômé ◽  
Patric Schyman ◽  
Aatto Laaksonen ◽  
Daniel P. Vercauteren
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Ion Binding ◽  
Dna Fragments

Molecular Dynamics Simulation of 8-Oxoguanine Containing DNA Fragments Reveals Altered Hydration and Ion Binding Patterns

2010 ◽  
Vol 114 (14) ◽  
pp. 4789-4801 ◽  
Author(s):  
Aymeric Naômé ◽  
Patric Schyman ◽  
Aatto Laaksonen ◽  
Daniel P. Vercauteren
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Ion Binding ◽  
Dna Fragments

scholarly journals Effect of Lauric Acid on the Stability of Aβ42-Oligomers

2020 ◽  
Author(s):  
Prabir Khatua ◽  
Asis Jana ◽  
Ulrich H. E. Hansmann
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Dynamics ◽  
Fatty Acids ◽  
Fatty Acid ◽  
Molecular Dynamics Simulation ◽  
Lauric Acid ◽  
Cell Membranes ◽  
Dynamics Simulation ◽  
The Stability

AbstractWhile Alzheimer’s disease is correlated with the presence of Aβ fibrils in patient brains, the more likely agents are their precursors, soluble oligomers that may form pores or otherwise distort cell membranes. Using all-atom molecular dynamics simulation we study how presence of fatty acids such as lauric acid changes the stability of pore-forming oligomers built from three-stranded Aβ42 chains. Such a change would alter the distribution of amyloids in the fatty-acid rich brain environment, and therefore could explain the lower polymorphism observed in Aβ-fibrils derived from brains of patients with Alzheimer’s disease. We find that lauric acid stabilizes both ring-like and barrel-shaped models, with the effect being stronger for barrel-like models than for ring-like oligomers.

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