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{Zhang:2018:comnet/cnx052,
author = {Zhang, H and Salazar, JD and Yaliraki, SN},
doi = {comnet/cnx052},
journal = {Journal of Complex Networks},
pages = {679--692},
title = {Proteins across scales through graph partitioning: application to the major peanut allergen Ara h 1},
url = {http://dx.doi.org/10.1093/comnet/cnx052},
volume = {6},
year = {2018}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The analysis of community structure in complex networks has been given much attention recently, as it is hoped that the communities at various scales can affect or explain the global behaviour of the system. A plethora of community detection algorithms have been proposed, insightful yet often restricted by certain inherent resolutions. Proteins are multi-scale biomolecular machines with coupled structural organization across scales, which is linked to their function. To reveal this organization, we applied a recently developed multi-resolution method, Markov Stability, which is based on atomistic graph partitioning, along with theoretical mutagenesis that further allows for hot spot identification using Gaussian process regression. The methodology finds partitions of a graph without imposing a particular scale a priori and analyses the network in a computationally efficient way. Here, we show an application on peanut allergenicity, which despite extensive experimental studies that focus on epitopes, groups of atoms associated with allergenic reactions, remains poorly understood. We compare our results against available experiment data, and we further predict distal regulatory sites that may significantly alter protein dynamics.
AU  - Zhang,H
AU  - Salazar,JD
AU  - Yaliraki,SN
DO  - comnet/cnx052
EP  - 692
PY  - 2018///
SN  - 2051-1310
SP  - 679
TI  - Proteins across scales through graph partitioning: application to the major peanut allergen Ara h 1
T2  - Journal of Complex Networks
UR  - http://dx.doi.org/10.1093/comnet/cnx052
UR  - http://hdl.handle.net/10044/1/51857
VL  - 6
ER  -
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