Publications
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
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
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
Di Palma F., Abate C., Decherchi S., Cavalli A.
Ligandability and druggability assessment via machine learning
Wiley Interdisciplinary Reviews: Computational Molecular Science
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
2023
Poggiali B., Ponzetti A., Malerba M., Landuzzi F., Furia F., Charrance D., Trova S., Perseghin V., Falcone P.A., Alliod V., Malossi A., Carassai P., Familiari U., Vecchi M., Gustincich S., Schena M., Cavalli A., Coppe A.
Multiomic analysis of HER2-enriched and AR-positive breast carcinoma with apocrine differentiation and an oligometastatic course: a case report
Frontiers in Oncology, vol. 13
2023
Balboni B., Rinaldi F., Previtali V., Ciamarone A., Girotto S., Cavalli A.
Novel Insights into RAD52’s Structure, Function, and Druggability for Synthetic Lethality and Innovative Anticancer Therapies
Cancers, vol. 15, (no. 6)
2023
Aguti R., Bernetti M., Bosio S., Decherchi S., Cavalli A.
On the allosteric puzzle and pocket crosstalk through computational means
Journal of Chemical Physics, vol. 158, (no. 16)
2023
Decherchi S., Cavalli A.
Optimal Transport for Free Energy Estimation
Journal of Physical Chemistry Letters, vol. 14, (no. 6), pp. 1618-1625
2023
Previtali V., Myers S.H., Poppi L., Wynne K., Casamassima I., Girotto S., Di Stefano G., Farabegoli F., Roberti M., Oliviero G., Cavalli A.
Preomic profile of BxPC-3 cells after treatment with BRC4
Journal of Proteomics, vol. 288