The main mission of Computational and Chemical Biology is to develop innovative computational tools and algorithms to enhance the discovery of novel and better medicines. A further strategic asset of our research line is to design, synthesize, and biologically evaluate novel lead candidates for cancer, neurodegenerative diseases, and neglected tropical diseases. The team is composed of a core of computational scientists, who work in strict collaboration with chemists and biologists towards interdisciplinary goals in drug discovery.
Computational and Chemical Biology
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The latest publications
Myers S.H., Poppi L., Rinaldi F., Veronesi M., Ciamarone A., Previtali V., Bagnolini G., Schipani F., Ortega Martinez J.A., Girotto S., et al.
An 19F NMR fragment-based approach for the discovery and development of BRCA2-RAD51 inhibitors to pursuit synthetic lethality in combination with PARP inhibition in pancreatic cancer
European Journal of Medicinal Chemistry, vol. 265
Bassi P.R.A.S., Dertkigil S.S.J., Cavalli A.
Improving deep neural network generalization and robustness to background bias via layer-wise relevance propagation optimization
Nature Communications, vol. 15, (no. 1)
Poppi L., Myers S.H., Previtali V., Rinaldi F., Farabegol F., Di Stefano G., Walsh N., Roberti M., Cavalli A.
A RAD51/BRCA2 small molecule inhibitor enhances the antineoplastic effect of the PARPi talazoparib in pancreatic cancer
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