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An edge-based formulation of elastic network models

Authors :
Sophia N. Yaliraki
Mauricio Barahona
Maxwell Hodges
Publication Year :
2019
Publisher :
arXiv, 2019.

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.

Details

Database :
OpenAIRE
Accession number :
edsair.doi.dedup.....aea34bbe4a18c2e3dc822a17cb1de521
Full Text :
https://doi.org/10.48550/arxiv.1911.06152