IIT Publications Search

Ghidini A., Serra E., Decherchi S., Cavalli A.
Bidirectional path-based non-equilibrium simulations for binding free energy
Molecular Physics
Balasubramanian K.K., Di Salvo M., Rocchia W., Decherchi S., Crepaldi M.
Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective
IEEE Access
Castagnola V., Tomati V., Boselli L., Braccia C., Decherchi S., Pompa P.P., Pedemonte N., Benfenati F., Armirotti A.
Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona
Nanoscale Horizons, vol. 9, (no. 5), pp. 799-816
Rocutto L., Maronese M., Traversa F.L., Decherchi S., Cavalli A.
Assessing the Effectiveness of Non-Turing Computing Paradigms
IEEE Access, vol. 11, pp. 98751-98763
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
Abate C., Decherchi S., Cavalli A.
Graph neural networks for conditional de novo drug design
Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 13, (no. 4)
Di Palma F., Abate C., Decherchi S., Cavalli A.
Ligandability and druggability assessment via machine learning
Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 13, (no. 5)
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, vol. 63, (no. 15), pp. 4814-4826
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
Decherchi S., Ciccotti G., Cavalli A.
Regularized Bennett and Zwanzig free energy estimators
Journal of Chemical Physics, vol. 158, (no. 12)
Aguti R., Gardini E., Bertazzo M., Decherchi S., Cavalli A.
Probabilistic Pocket Druggability Prediction via One-Class Learning
Frontiers in Pharmacology, vol. 13
Di Palma F., Decherchi S., Pardo-Avila F., Succi S., Levitt M., Von Heijne G., Cavalli A.
Probing Interplays between Human XBP1u Translational Arrest Peptide and 80S Ribosome
Journal of Chemical Theory and Computation, vol. 18, (no. 3), pp. 1905-1914
Cambria E., Liu Q., Decherchi S., Xing F., Kwok K.
SenticNet 7: A Commonsense-based Neurosymbolic AI Framework for Explainable Sentiment Analysis
2022 Language Resources and Evaluation Conference, LREC 2022, pp. 3829-3839
Conference Paper Conference
Gardini E., Cavalli A., Decherchi S.
An Ab Initio Local Principal Path Algorithm
Proceedings of the International Joint Conference on Neural Networks, vol. 2021-July