An edge-based formulation of elastic network models
Abstract
We present an edge-based framework for the study of geometric elastic network models to model mechanical interactions in physical systems. We use a formulation in the edge space, instead of the usual node-centric approach, to characterise edge fluctuations of geometric networks defined in d- dimensional space and define the edge mechanical embeddedness, an edge mechanical susceptibility measuring the force felt on each edge given a force applied on the whole system. We further show that this formulation can be directly related to the infinitesimal rigidity of the network, which additionally permits three- and four-centre forces to be included in the network description. We exemplify the approach in protein systems, at both the residue and atomistic levels of description.
Cite
@article{arxiv.1911.06152,
title = {An edge-based formulation of elastic network models},
author = {Maxwell Hodges and Sophia N Yaliraki and Mauricio Barahona},
journal= {arXiv preprint arXiv:1911.06152},
year = {2020}
}