Imperial College London


Faculty of Natural SciencesDepartment of Chemistry

Professor of Theoretical Chemistry







Molecular Sciences Research HubWhite City 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.




Sapienza R, Barahona M, Saxena D, et al., 2022, Sensitivity and spectral control of network lasers, Nature Communications, Vol:13, ISSN:2041-1723, Pages:1-7

Strömich L, Wu N, Barahona M, et al., 2022, Allosteric hotspots in the main protease of SARS-CoV-2, Journal of Molecular Biology, Vol:434, ISSN:0022-2836

Wu N, Yaliraki S, Barahona M, 2022, Prediction of protein allosteric signalling pathways and functional residues through paths of optimised propensity, Journal of Molecular Biology, Vol:434, ISSN:0022-2836, Pages:1-16

Chrysostomou S, Roy R, Prischi F, et al., 2022, Re: Repurposed Floxacins Targeting RSK4 Prevent Chemoresistance and Metastasis in Lung and Bladder Cancer, Journal of Urology, Vol:207, ISSN:0022-5347, Pages:919-920

Wu N, Stromich L, Yaliraki SN, 2022, Prediction of allosteric sites and signalling: insights from benchmarking datasets, Patterns, Vol:3, ISSN:2666-3899, Pages:1-12

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