DrStefano Angioletti-Uberti

Overview
the research group of Dr. Angioletti-Uberti focuses on computational design using a range of techniques grounded in Statistical Mechanics, and now trying to integrate them with modern, Deep Learning (AI) based approaches. Systems of interest range from targeted drug delivery vectors to synthetic enzymes and nanoreactors. Broadly speaking, the main aim is to understand how to tune a system behaviour, by programming its interactions in a rational way, e.g., using either different functionalising molecules (ligands), and thus controlling its function. 

Selected publications:

Angioletti-Uberti, S., Visco, D. and Dobnikar, J., 2026. Why does targeting differences in receptor population require multivalent effects?. Current Opinion in Solid State and Materials Science, 44, p.101271.

Lála, J., Agrawal, H., Dong, F., Wells, J. and Angioletti-Uberti, S., 2026. An Energy Landscape Approach to Miniaturizing Enzymes using Protein Language Model Embeddings. bioRxiv, pp.2026-03.

Wu, A., Lála, J., Trolliet, Q., Rajendran, A. and Angioletti-Uberti, S., 2026. Mind the gap: An embedding guide to safely travel in sequence space. PLOS Computational Biology, 22(7), p.e1014433.

Lála, J., Al-Saffar, A. and Angioletti-Uberti, S., 2025. BAGEL: Protein engineering via exploration of an energy landscape. PLOS Computational Biology, 21(12), p.e1013774.

Xie, Z., Angioletti-Uberti, S., Dobnikar, J., Frenkel, D. and Curk, T., 2025. Receptor clustering tunes and sharpens the selectivity of multivalent binding. Proceedings of the National Academy of Sciences, 122(7), p.e2417159122.

Liu, M., Apriceno, A., Sipin, M., Scarpa, E., Rodriguez-Arco, L., Poma, A., Marchello, G., Battaglia, G. and Angioletti-Uberti, S., 2020. Combinatorial entropy behaviour leads to range selective binding in ligand-receptor interactions. Nature communications, 11(1), p.4836.

Tian, X., Angioletti-Uberti, S. and Battaglia, G., 2020. On the design of precision nanomedicines. Science advances, 6(4), p.eaat0919.

Roa, R., Kim, W.K., Kanduč, M., Dzubiella, J. and Angioletti-Uberti, S., 2017. Catalyzed bimolecular reactions in responsive nanoreactors. ACS catalysis, 7(9), pp.5604-5611.

Angioletti-Uberti, Stefano. "Theory, simulations and the design of functionalized nanoparticles for biomedical applications: A Soft Matter Perspective." npj Computational Materials 3, no. 1 (2017): 48.

Angioletti-Uberti, S., Varilly, P., Mognetti, B.M., Tkachenko, A.V. and Frenkel, D., 2013. "Communication: A simple analytical formula for the free-energy of ligand-receptor-mediated interactions". The Journal of Chemical Physics 138(2), p.021102-021105

Angioletti-Uberti, S., Varilly, P., Mognetti, B.M. and Frenkel, D., 2014. "Mobile linkers on DNA-coated-colloids: valency without patches",Physical Review Letters 113(2), p.128303-128307

Angioletti-Uberti, S., Mognetti, B.M. and Frenkel, D., 2012. "Re-entrant melting as a design principle for DNA-coated colloids", Nature Materials 11(6), pp. 518-522