Relevance of the speed and direction of pulling in simple modular proteins
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.
Keywords
Cite
@article{arxiv.1707.03882,
title = {Relevance of the speed and direction of pulling in simple modular proteins},
author = {Carlos A. Plata and Zackary N. Scholl and Piotr E. Marszalek and A. Prados},
journal= {arXiv preprint arXiv:1707.03882},
year = {2018}
}
Comments
Accepted for publication in J. Chem. Theory Comput.; only one PDF file with the main text and the supporting information (generated from a docx file)