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arXiv · 1707.03882

Relevance of the speed and direction of pulling in simple modular proteins

Carlos A. Plata·Zackary N. Scholl·Piotr E. Marszalek·A. Prados
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Abstract

A theoretical analysis of the unfolding pathway of simple modular proteins in length- controlled pulling experiments is put forward. Within this framework, we predict the first module to unfold in a chain of identical units, emphasizing the ranges of pulling speeds in which we expect our theory to hold. These theoretical predictions are checked by means of steered molecular dynamics of a simple construct, specifically a chain composed of two coiled-coils motives, where anisotropic features are revealed. These simulations also allow us to give an estimate for the range of pulling velocities in which our theoretical approach is valid.

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Carlos A. Plata, Zackary N. Scholl, Piotr E. Marszalek, A. Prados. 2018-05-17. Relevance of the speed and direction of pulling in simple modular proteins. https://doi.org/10.1021/acs.jctc.8b00347

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