3 papers
cs.ET2026
A Physically-Informed Subgraph Isomorphism Approach to Molecular Docking Using Quantum Annealers
Francesco Micucci, Matteo Barbieri, Gabriella Bettonte +6
Molecular docking is a crucial step in the development of new drugs as it guides the positioning of a small molecule (ligand) within the pocket of a target protein. In the literatu…
cs.LG2025
GENEOnet: Statistical analysis supporting explainability and trustworthiness
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti +5
Group Equivariant Non-Expansive Operators (GENEOs) have emerged as mathematical tools for constructing networks for Machine Learning and Artificial Intelligence. Recent findings su…
q-bio.BM2025
Molecular Docking via Weighted Subgraph Isomorphism on Quantum Annealers
Emanuele Triuzzi, Riccardo Mengoni, Francesco Micucci +4
Molecular docking is an essential step in the drug discovery process involving the detection of three-dimensional poses of a ligand inside the active site of the protein. In this p…