IIT Publications Search

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
DOI 10.1002/1878-0261.13471 Poster Conference
Rocutto L., Maronese M., Traversa F.L., Decherchi S., Cavalli A.
Assessing the Effectiveness of Non-Turing Computing paradigms
IEEE Access
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
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
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
Abate C., Decherchi S., Cavalli A.
Graph neural networks for conditional de novo drug design
Wiley Interdisciplinary Reviews: Computational Molecular Science
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)
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
Di Palma F., Abate C., Decherchi S., Cavalli A.
Ligandability and druggability assessment via machine learning
Wiley Interdisciplinary Reviews: Computational Molecular Science
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
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
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)
Balboni B., Marotta R., Rinaldi F., Girotto S., Cavalli A.
Novel structural insights on full-length human RAD52: Cryo-EM and beyond
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)
Decherchi S., Cavalli A.
Optimal Transport for Free Energy Estimation
Journal of Physical Chemistry Letters, vol. 14, (no. 6), pp. 1618-1625