ArticleBiophysical journal2012
Effect of sequence variation on the mechanical response of amyloid fibrils probed by steered molecular dynamics simulation.
Article in Biophysical journal, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 45 citations in OpenAlex.
- Investigating the influence of mineral content changes on mechanical properties through ligament insertion.Frontiers in aging · 2025Article
- Roles of Tryptophan and Charged Residues on the Polymorphisms of Amyloids Formed by K-Peptides of Hen Egg White Lysozyme Investigated through Molecular Dynamics Simulations.International journal of molecular sciences · 2023Article
- Multiscale Characterization of Type I Collagen Fibril Stress-Strain Behavior under Tensile Load: Analytical vs. MD Approaches.Bioengineering (Basel, Switzerland) · 2022Article
- All-Atom Molecular Dynamics Simulation Methods for the Aggregation of Protein and Peptides: Replica Exchange/Permutation and Nonequilibrium Simulations.Methods in molecular biology (Clifton, N.J.) · 2022Review
- Accelerating Reaction Rates of Biomolecules by Using Shear Stress in Artificial Capillary Systems.Journal of the American Chemical Society · 2021Article
- The Role of Structural Polymorphism in Driving the Mechanical Performance of the Alzheimer's Beta Amyloid Fibrils.Frontiers in bioengineering and biotechnology · 2019Article
- Structural Modulation of Human Amylin Protofilaments by Naturally Occurring Mutations.The journal of physical chemistry. B · 2018Article
- Computational re-engineering of Amylin sequence with reduced amyloidogenic potential.BMC structural biology · 2015Article
- Disordered amyloidogenic peptides may insert into the membrane and assemble into common cyclic structural motifs.Chemical Society reviews · 2014Review
- Role of sequence and structural polymorphism on the mechanical properties of amyloid fibrils.PloS one · 2014Article
- Mutations and seeding of amylin fibril-like oligomers.The journal of physical chemistry. B · 2013Article
- Structure and mechanical characterization of DNA i-motif nanowires by molecular dynamics simulation.Biophysical journal · 2013Article
- An imaging and systems modeling approach to fibril breakage enables prediction of amyloid behavior.Biophysical journal · 2013Article
- In silico cross seeding of Aβ and amylin fibril-like oligomers.ACS chemical neuroscience · 2013Article
- The stability of cylindrin β-barrel amyloid oligomer models-a molecular dynamics study.Proteins · 2013Article
- Molecular dynamics simulations of mechanical failure in polymorphic arrangements of amyloid fibrils containing structural defects.Beilstein journal of nanotechnology · 2013Article
- Review
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The mechanical failure of mature amyloid fibers produces fragments that act as seeds for the growth of new fibrils. Fragmentation may also be correlated with cytotoxicity. We have used steered atomistic molecular dynamics simulations to study the mechanical failure of fibrils formed by the amyloidogenic fragment of human amylin hIAPP20-29 subjected to force applied in a variety of directions. By introducing systematic variations to this peptide sequence in silico, we have also investigated the role of the amino-acid sequence in determining the mechanical stability of amyloid fibrils. Our calculations show that the force required to induce mechanical failure depends on the direction of the applied stress and upon the degree of structural order present in the β-sheet assemblies, which in turn depends on the peptide sequence. The results have implications for the importance of sequence-dependent mechanical properties on seeding the growth of new fibrils and the role of breakage events in cytotoxicity.
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