Dynamics of Seeded Aβ₄₀-Fibril Growth from Atomistic Molecular Dynamics Simulations: Kinetic Trapping and Reduced Water Mobility in the Locking Step

Keyphrases

• Kinetic Trapping 100%
• Reduced Water 100%
• Water Mobility 100%
• Atomistic Molecular Dynamics Simulations 100%
• Fibril Growth 100%
• Non-native 50%
• Native Hydrogen 50%
• Hydrogen Bonds (H-bonds) 50%
• Binding Energy 25%
• Interaction Effect 25%
• Order of Magnitude 25%
• Growth Rate 25%
• Water Molecule 25%
• Alzheimer's Disease 25%
• Reduced Mobility 25%
• Diffusion Coefficient 25%
• Growth Process 25%
• Hydration Water 25%
• Growth Kinetics 25%
• Collective Motion 25%
• Position-dependent 25%
• Solvation Effect 25%
• Long-lived 25%
• Kinetic Data 25%
• Water Play 25%
• Molecular Pathways 25%
• Free Energy Profile 25%
• Binding Interface 25%
• Diffusion Profile 25%
• Amyloid Aggregates 25%
• Profile Information 25%
• All-atom Molecular Dynamics Simulation 25%
• Kinetic Pathways 25%
• Explicit Water 25%
• Lock Mechanism 25%
• Docking Interactions 25%
• Peptide Interaction 25%
• Fibril Elongation 25%

Chemistry

• Hydrogen Bonding 100%
• Molecular Dynamics 100%
• Filament 100%
• Monomer 100%
• Free Energy 100%
• Solvation 50%
• Collective Motion 50%
• Diffusion Coefficient 50%
• formation 50%

Biochemistry, Genetics and Molecular Biology

• Dynamics 100%
• Hydrogen Bond 100%
• Computer Simulation 100%
• Motion 50%
• Facilitated Diffusion 50%
• Conformation 50%
• Diffusion Coefficient 50%
• Solvation 50%
• Amyloid Protein 50%