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Computational and Chemical Biology

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.

IIT Publications List

Publications
2021
Balboni A., Govoni M., Rossi V., Roberti M., Cavalli A., Di Stefano G., Manerba M.
Lactate dehydrogenase inhibition affects homologous recombination repair independently of cell metabolic asset; implications for anticancer treatment
Biochimica et Biophysica Acta - General Subjects, vol. 1865, (no. 1)
2021
Vignolo A., Noceti N., Sciutti A., Odone F., Sandini G.
Learning Dictionaries of Kinematic Primitives for Action Classification
25th International Conference on Pattern Recognition
2021
Kumari P., Pillai V. V. S., Gobbo D., Ballone P., Benedetto A.
The transition from salt-in-water to water-in-salt nanostructures in water solutions of organic ionic liquids relevant for biological applications
Physical Chemistry Chemical Physics, vol. 23, (no. 2), pp. 944-959
2021
Gardini E., Ferrarotti M.J., Cavalli A., Decherchi S.
Using Principal Paths to Walk Through Music and Visual Art Style Spaces Induced by Convolutional Neural Networks
Cognitive Computation
2021
Marasca C., Arana M.E.B., Protti M., Cavalli A., Mercolini L., Armirotti A.
Volumetric Absorptive Microsampling of Blood for Untargeted Lipidomics
Molecules, vol. 26, (no. 2)