Probing the early stages of prion protein (PrP) aggregation with atomistic molecular dynamics simulations

2018 ◽  
Vol 54 (57) ◽  
pp. 8007-8010 ◽  
Author(s):  
Francesca Collu ◽  
Enrico Spiga ◽  
Nesrine Chakroun ◽  
Human Rezaei ◽  
Franca Fraternali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Prion Protein ◽  
Aggregation Process ◽  
Early Stages ◽  
Dynamics Simulations

We present results extracted from molecular dynamics simulations aimed at investigating the aggregation process of the β-rich ovine prion protein.

scholarly journals Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras

2013 ◽  
Vol 31 (8) ◽  
pp. 829-840 ◽  
Author(s):  
Xiaojing Cong ◽  
Salvatore Bongarzone ◽  
Gabriele Giachin ◽  
Giulia Rossetti ◽  
Paolo Carloni ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Prion Protein ◽  
Prion Diseases ◽  
Dominant Negative ◽  
Negative Effects ◽  
Dynamics Simulations

Strategies for modulating the luminescence properties of pyronin Y dye–clay films: an experimental and theoretical study

2016 ◽  
Vol 18 (12) ◽  
pp. 8730-8738 ◽  
Author(s):  
Nerea Epelde-Elezcano ◽  
Virginia Martínez-Martínez ◽  
Eduardo Duque-Redondo ◽  
Inés Temiño ◽  
Hegoi Manzano ◽  
...  
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Fluorescence Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Electronic Absorption ◽  
Theoretical Study ◽  
Aggregation Process ◽  
Absorption And Fluorescence Spectroscopy ◽  
Smectite Clays ◽  
Dynamics Simulations

The aggregation process of pyronin Y (PY) dye into thin films of different smectite clays, LAPONITE® and saponite, is deeply studied by means of electronic absorption and fluorescence spectroscopy and by molecular dynamics simulations.

scholarly journals Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study

2017 ◽  
Vol 5 (35) ◽  
pp. 7274-7284 ◽  
Author(s):  
Giulia Mancardi ◽  
Carlos Ernesto Hernandez Tamargo ◽  
Devis Di Tommaso ◽  
Nora H. de Leeuw
Keyword(s):  
Molecular Dynamics ◽  
Calcium Phosphate ◽  
Molecular Dynamics Simulations ◽  
Aggregation Process ◽  
Phosphate Ions ◽  
Dynamics Simulations

Molecular dynamics simulations of calcium and phosphate ions in water show that Posner-like clusters originate during the aggregation process.

scholarly journals Misfolding Pathways of the Prion Protein Probed by Molecular Dynamics Simulations

2005 ◽  
Vol 88 (2) ◽  
pp. 1334-1343 ◽  
Author(s):  
Alessandro Barducci ◽  
Riccardo Chelli ◽  
Piero Procacci ◽  
Vincenzo Schettino
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Prion Protein ◽  
Dynamics Simulations
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