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
Projects
Progetto 5000genomi@VdA, supported by Programma Investimenti per la crescita e l’occupazione 2014/20 (FESR) and Programma Investimenti in favore della crescita e dell’occupazione 2014/20 (FSE) Per maggiori dettagli si veda il sito del Progetto www.5000genomivda.it
Last Publications
2023
Bernetti M., Bussi G.
Integrating experimental data with molecular simulations to investigate RNA structural dynamics
Current Opinion in Structural Biology, vol. 78
2022
Demuro S., Sauvey C., Tripathi S.K., Di Martino R.M.C., Shi D., Ortega J.A., Russo D., Balboni B., Giabbai B., Storici P., Girotto S., Abagyan R., Cavalli A.
ARN25068, a versatile starting point towards triple GSK-3β/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders
European Journal of Medicinal Chemistry, vol. 229
2022
Bernetti M., Aguti R., Bosio S., Recanatini M., Masetti M., Cavalli A.
Computational drug discovery under RNA times
QRB Discovery, vol. 3
People
Principal Investigator
Computational and Chemical Biology
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