IIT Publications Search

2021
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
2021
Muhlethaler T., Gioia D., Prota A.E., Sharpe M.E., Cavalli A., Steinmetz M.O.
Comprehensive Analysis of Binding Sites in Tubulin
Angewandte Chemie - International Edition, vol. 60, (no. 24), pp. 13331-13342
2021
Gobbo D., Cavalli A., Ballone P., Benedetto A.
Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17-42) amyloid fibrils
Physical Chemistry Chemical Physics, vol. 23, (no. 11), pp. 6695-6709
2021
Decherchi S., Grisoni F., Tiwary P., Cavalli A.
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Frontiers in Molecular Biosciences, vol. 8
2021
Demuro S., Di Martino R.M.C., Ortega J.A., Cavalli A.
Gsk‐3β, fyn, and dyrk1a: Master regulators in neurodegenerative pathways
International Journal of Molecular Sciences, vol. 22, (no. 16)
2021
Rusmini M., Uva P., Amoroso A., Tolomeo M., Cavalli A.
How Genetics Might Explain the Unusual Link Between Malaria and COVID-19
Frontiers in Medicine, vol. 8
2021
Balboni A., Govoni M., Rossi V., Roberti M., Cavalli A., Di Stefano G., Manerba M.
Lactate dehydrogenase inhibition affects homologous recombination repair independently of cell metabolic asset; implications for anticancer treatment
Biochimica et Biophysica Acta - General Subjects, vol. 1865, (no. 1)
2021
Bertazzo M., Gobbo D., Decherchi S., Cavalli A.
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy
Journal of Chemical Theory and Computation, vol. 17, (no. 8), pp. 5287-5300
2021
Riccardi L., Decherchi S., Rocchia W., Zanoni G., Cavalli A., Mancin F., De Vivo M.
Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint
Journal of Physical Chemistry Letters, vol. 12, (no. 23), pp. 5616-5622
2021
Pestarino L., Fiorito G., Polidoro S., Vineis P., Cavalli A., Decherchi S.
On the Stability of Feature Selection in Multiomics Data
Proceedings of the International Joint Conference on Neural Networks, vol. 2021-July
2021
Decherchi S., Pedrini E., Mordenti M., Cavalli A., Sangiorgi L.
Opportunities and Challenges for Machine Learning in Rare Diseases
Frontiers in Medicine, vol. 8
2021
Galvez-Llompart M., Ocello R., Rullo L., Stamatakos S., Alessandrini I., Zanni R., Tunon I., Cavalli A., Candeletti S., Masetti M., Romualdi P., Recanatini M.
Targeting the JAK/STAT Pathway: A Combined Ligand- And Target-Based Approach
Journal of Chemical Information and Modeling, vol. 61, (no. 6), pp. 3091-3108
2021
Papa R., Rusmini M., Schena F., Traggiai E., Coccia M.C., Caorsi R., Arrigo S., Pasetti F., Signa S., Barone P., Santamaria G., Spirito G., Sanges R., Vozzi D., Cavalli A., Gustincich S., Ravelli A., Gattorno M., Ceccherini I., Volpi S.
Type I interferon activation in RAS-associated autoimmune leukoproliferative disease (RALD)
Clinical Immunology, vol. 231
2021
Gardini E., Ferrarotti M.J., Cavalli A., Decherchi S.
Using Principal Paths to Walk Through Music and Visual Art Style Spaces Induced by Convolutional Neural Networks
Cognitive Computation, vol. 13, (no. 2), pp. 570-582