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
The latest publications
2025
Rinaldi F., Balboni B., Varignani G., Milordini G., Marotta R., Girotto S., Cavalli A.
An integrative structural study of RAD52, an emerging target in anticancer drug discovery
XXIX National Meeting on Medicinal Chemistry of the Italian Chemistry Society
2025
Rinaldi F., Balboni B., Girotto S., Cavalli A.
An integrative structural study of RAD52, an emerging target in anticancer drug discovery
XXIX National Meeting on Medicinal Chemistry of the Italian Chemistry Society
2025
Vignolo A., Baird T.J., Spiga F., Canevari C., Coretti A., Vuilleumier R., Cavalli A., Bonella S., Decherchi S.
A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics
International Journal of High Performance Computing Applications
People
Principal Investigator
Computational and Chemical Biology
IIT OpenTalk Magazine - Lab Highlights Show all >