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Article

Soft Vibrational Modes Predict Breaking Events during Force-Induced Protein Unfolding.

Biophysical journal - 6 Feb 2018

Habibi Mona, Plotkin Steven S, Rottler Jörg

Abstract excerpt

We investigate the correlation between soft vibrational modes and unfolding events in simulated force spectroscopy of proteins. Unfolding trajectories are obtained from molecular dynamics simulations of a Gō model of a monomer of a mutant of superoxide dismutase 1 protein containing all heavy atoms in the protein, and a normal mode analysis is performed based on the anisotropic network model. We show that a...

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Identifiers

PMID: 29414701
DOI: 10.1016/j.bpj.2017.11.3781
PMCID: PMC5985024

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