Soft Vibrational Modes Predict Breaking Events during Force-Induced Protein Unfolding.
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ABSTRACT:
SUBMITTER: Habibi M
PROVIDER: S-EPMC5985024 | biostudies-literature | 2018 Feb
REPOSITORIES: biostudies-literature
Publications
Soft Vibrational Modes Predict Breaking Events during Force-Induced Protein Unfolding.
Habibi Mona M Plotkin Steven S SS Rottler Jörg J
Biophysical journal 20180201 3
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 softness map constructed from the superposition of the amplitudes of localized soft modes ...[more]
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