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.



Wu N, Stromich L, Yaliraki SN, 2021, Prediction of allosteric sites and signalling: insights from benchmarking datasets, Patterns, ISSN:2666-3899

Pardo O, Chrysostomou S, Roy R, et al., 2021, Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer, Science Translational Medicine, Vol:13, ISSN:1946-6234

Mersmann S, Stromich L, Song F, et al., 2021, ProteinLens: a web-based application for the analysis of allosteric signalling on atomistic graphs of biomolecules, Nucleic Acids Research, Vol:49, ISSN:0305-1048, Pages:W551-W558

Peach R, Arnaudon A, Schmidt J, et al., 2021, HCGA: Highly comparative graph analysis for network phenotyping, Patterns, Vol:2, ISSN:2666-3899

Peach R, Greenbury S, Johnston I, et al., 2021, Understanding learner behaviour in online courses with Bayesian modelling and time series characterisation, Scientific Reports, Vol:11, ISSN:2045-2322