Imperial College London


Faculty of Natural SciencesDepartment of Chemistry

Professor of Theoretical Chemistry



+44 (0)20 7594 5899s.yaliraki




534ChemistrySouth Kensington Campus





The Yaliraki group is interested in the emergent properties of self-assembling systems in confined environments. Examples from biology include the mechanisms of fibril and viral capsid formations. Another area of interest is the electronic properties of molecular scale junctions. A unifying theme of our work is how geometry and topology affect the dynamics of systems at different scales. Emphasis is on coarse-graining and system reduction approaches.




Hodges M, Barahona M, Yaliraki S, Allostery and cooperativity in multimeric proteins: bond-to-bond propensities in ATCase, Scientific Reports, ISSN:2045-2322

Colijn C, Jones N, Johnston IG, et al., 2017, Toward Precision Healthcare: Context and Mathematical Challenges, Frontiers in Physiology, Vol:8, ISSN:1664-042X

Zhang H, Salazar JD, Yaliraki SN, 2017, Proteins across scales through graph partitioning: application to the major peanut allergen Ara h 1, Journal of Complex Networks, ISSN:2051-1310

Georgiou PS, Yaliraki SN, Drakakis EM, et al., 2016, Window functions and sigmoidal behaviour of memristive systems, International Journal of Circuit Theory and Applications, Vol:44, ISSN:0098-9886, Pages:1685-1696

Amor BRC, Schaub MT, Yaliraki SN, et al., 2016, Prediction of allosteric sites and mediating interactions through bond-to-bond propensities, Nature Communications, Vol:7, ISSN:2041-1723

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