Imperial College London
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ProfessorSophiaYaliraki

Faculty of Natural Sciences, Department of Chemistry

Professor of Theoretical Chemistry
 
 
 
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Contact

 

s.yaliraki

 
 
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Location

 

Molecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Hodges:2019:10.1103/PhysRevResearch.1.033211,
author = {Hodges, M and Yaliraki, SN and Barahona, M},
doi = {10.1103/PhysRevResearch.1.033211},
journal = {Physical Review Research},
pages = {033211--033211},
title = {Edge-based formulation of elastic network models},
url = {http://dx.doi.org/10.1103/PhysRevResearch.1.033211},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We present an edge-based framework for the study of geometric elastic networkmodels to model mechanical interactions in physical systems. We use aformulation in the edge space, instead of the usual node-centric approach, tocharacterise edge fluctuations of geometric networks defined in d- dimensionalspace and define the edge mechanical embeddedness, an edge mechanicalsusceptibility measuring the force felt on each edge given a force applied onthe whole system. We further show that this formulation can be directly relatedto the infinitesimal rigidity of the network, which additionally permits three-and four-centre forces to be included in the network description. We exemplifythe approach in protein systems, at both the residue and atomistic levels ofdescription.
AU  - Hodges,M
AU  - Yaliraki,SN
AU  - Barahona,M
DO  - 10.1103/PhysRevResearch.1.033211
EP  - 033211
PY  - 2019///
SP  - 033211
TI  - Edge-based formulation of elastic network models
T2  - Physical Review Research
UR  - http://dx.doi.org/10.1103/PhysRevResearch.1.033211
UR  - http://arxiv.org/abs/1911.06152v1
UR  - https://link.aps.org/doi/10.1103/PhysRevResearch.1.033211
UR  - http://hdl.handle.net/10044/1/74974
ER  -
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