Mechanical and thermodynamic properties of Aβ₄₂, Aβ₄₀, and α-synuclein fibrils: a coarse-grained method to complement experimental studies.

ABSTRACT: We perform molecular dynamics simulation on several relevant biological fibrils associated with neurodegenerative diseases such as Aβ₄₀, Aβ₄₂, and α-synuclein systems to obtain a molecular understanding and interpretation of nanomechanical characterization experiments. The computational method is versatile and addresses a new subarea within the mechanical characterization of heterogeneous soft materials. We investigate both the elastic and thermodynamic properties of the biological fibrils in order to substantiate experimental nanomechanical characterization techniques that are quickly developing and reaching dynamic imaging with video rate capabilities. The computational method qualitatively reproduces results of experiments with biological fibrils, validating its us

SUBMITTER: Poma AB 

PROVIDER: S-EPMC6404408 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature