Toolbox for quantifying memory in dynamics along reaction coordinates

نویسندگان

چکیده

Memory effects in time-series of experimental observables are ubiquitous, have important cosequences for the interpretation kinetic data, and may even affect function biomolecular nanomachines such as enzymes. Here we propose a set complementary methods quantifying conclusively magnitude duration memory time series reaction coordinate. The toolbox is general, robust, easy to use, does not rely on any underlying microscopic model. As proof concept apply it analysis dynamics end-to-end distance analytically solvable Rouse-polymer model, an extensions single DNA hairpin measured by optical tweezers, fraction native contacts small protein probed atomistic Molecular Dynamics simulations.

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ژورنال

عنوان ژورنال: Physical review research

سال: 2021

ISSN: ['2643-1564']

DOI: https://doi.org/10.1103/physrevresearch.3.l022018