45 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Dompé (Italy)IT3 papers
- Politecnico di MilanoIT3 papers
- CinecaIT2 papers
- KTH Royal Institute of TechnologySE1 paper
- Scuola Internazionale Superiore di Studi AvanzatiIT1 paper
- SIB Swiss Institute of BioinformaticsCH1 paper
- Universität InnsbruckAT1 paper
- University of BaselCH1 paper
- University of BresciaIT1 paper
- University of L'AquilaIT1 paper
- University of MilanIT1 paper
- University of PisaIT1 paper
4 papers
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…
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli +32
Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme-scale computer…
A Non-Intrusive Data-Driven Reduced Order Model for Parametrized CFD-DEM Numerical Simulations
Arash Hajisharifi, Francesco Romano`, Michele Girfoglio +3
The investigation of fluid-solid systems is very important in a lot of industrial processes. From a computational point of view, the simulation of such systems is very expensive, e…
GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti +5
Nowadays there is a big spotlight cast on the development of techniques of explainable machine learning. Here we introduce a new computational paradigm based on Group Equivariant N…