IIT Publications Search

Publications
2024
Myers S.H., Poppi L., Rinaldi F., Veronesi M., Ciamarone A., Previtali V., Bagnolini G., Schipani F., Ortega Martinez J.A., Girotto S., Di Stefano G., Farabegoli F., Walsh N., De Franco F., Roberti M., Cavalli A.
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
Article Journal
2024
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)
Article Journal
2023
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
EACR
Poster Conference
2023
Rocutto L., Maronese M., Traversa F.L., Decherchi S., Cavalli A.
Assessing the Effectiveness of Non-Turing Computing paradigms
IEEE Access
Article Journal
2023
Demuro S., Di Martino R.M.C., Sauvey C., Tripathi S.K., Ortega J. A., Russo D., Penna I., Myers S. H., Bandiera T., Girotto S., Abagyan R., Cavalli A.
Design and synthesis of triple protein kinase inhibitors: paving the way towards novel CNS tools to reverse the aberrant tau phosphorylation
ACS Spring 2023 meeting
Poster Conference
2023
Rinaldi F., Bernetti M., Bresciani V., Girotto S., Cavalli A.
Dissecting the BRCA2 - RAD51 interaction by integrating computational and experimental biophysics
EMBO Practical Course Integrative modelling of protein interactions
Poster Conference
2023
Basagni F., Ortega J.A., Bertozzi S.M., Armirotti A., Summa M., Bertorelli R., Bartolini M., Mellor I.R., Bedeschi M., Bottegoni G., Lembo V., Minarini A., Cavalli A., Rosini M.
Galantamine-memantine hybrids for Alzheimer's disease: The influence of linker rigidity in biological activity and pharmacokinetic properties
European Journal of Medicinal Chemistry, vol. 261
2023
Abate C., Decherchi S., Cavalli A.
Graph neural networks for conditional de novo drug design
Wiley Interdisciplinary Reviews: Computational Molecular Science
Article Journal
2023
Balboni B., Masi M., Rocchia W., Girotto S., Cavalli A.
GSK-3β Allosteric Inhibition: A Dead End or a New Pharmacological Frontier?
International Journal of Molecular Sciences, vol. 24, (no. 8)
2023
Brusa I., Sondo E., Pesce E., Tomati V., Gioia D., Falchi F., Balboni B., Ortega Martinez J.A., Veronesi M., Romeo E., Margaroli N., Recanatini M., Girotto S., Pedemonte N., Roberti M., Cavalli A.
Innovative Strategy toward Mutant CFTR Rescue in Cystic Fibrosis: Design and Synthesis of Thiadiazole Inhibitors of the E3 Ligase RNF5
Journal of Medicinal Chemistry
2023
Bernetti M., Bussi G.
Integrating experimental data with molecular simulations to investigate RNA structural dynamics
Current Opinion in Structural Biology, vol. 78
2023
Rinaldi F., Bernetti M., Bresciani V., Girotto S., Cavalli A.
Integration of computational and experimental biophysics reveals novel insights on the BRCA2 - RAD51 interaction
EMBO Workshop: Computational structural biology
Poster Conference
2023
Rinaldi F., Schipani F., Balboni B., Catalano F., Marotta R., Myers S.H., Previtali V., Veronesi M., Scietti L., Cecatiello V., Pasqualato S., Ortega J.A., Girotto S., Cavalli A.
Isolation and Characterization of Monomeric Human RAD51: A Novel Tool for Investigating Homologous Recombination in Cancer
Angewandte Chemie - International Edition
2023
Di Palma F., Abate C., Decherchi S., Cavalli A.
Ligandability and druggability assessment via machine learning
Wiley Interdisciplinary Reviews: Computational Molecular Science
Review Journal
2023
Majumdar S., Di Palma F., Spyrakis F., Decherchi S., Cavalli A.
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome
Journal of Chemical Information and Modeling

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