IIT Publications Search

Publications
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
Aldinucci M., Baralis E.M., Cardellini V., Colonnelli I., Danelutto M., Decherchi S., Di Modica G., Ferrucci L., Gribaudo M., Iannone F., Lapegna M., Medic D., Muscianisi G., Righetti F., Sciacca E., Tonellotto N., Tortonesi M., Trunfio P., Vardanega T.
A Systematic Mapping Study of Italian Research on Workflows
ACM International Conference Proceeding Series, pp. 2065-2076
Conference Paper Conference
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
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
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)
Article Journal
2023
Decherchi S., Cavalli A.
Optimal Transport for Free Energy Estimation
Journal of Physical Chemistry Letters, vol. 14, (no. 6), pp. 1618-1625
2023
Decherchi S., Ciccotti G., Cavalli A.
Regularized Bennett and Zwanzig free energy estimators
Journal of Chemical Physics, vol. 158, (no. 12)
Article Journal