Andrea Rosario Beccari

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 16

Top Topics

Virtual Screening

Systems Biology

Top Venues

J. Cheminformatics

Future Gener. Comput. Syst.

Publications

Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases. J. Cheminformatics 16 (1) (2024)
Luigi Crisci, Lorenzo Carpentieri, Biagio Cosenza, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Andrea Rosario Beccari
Enabling performance portability on the LiGen drug discovery pipeline. Future Gener. Comput. Syst. 158 (2024)
Gianmarco Accordi, Davide Gadioli, Giorgio Seguini, Andrea Rosario Beccari, Gianluca Palermo
ZSMILES: An Approach for Efficient SMILES Storage for Random Access in Virtual Screening. IPDPS (Workshops) (2024)
Gianmarco Accordi, Davide Gadioli, Giorgio Seguini, Andrea Rosario Beccari, Gianluca Palermo
ZSMILES: an approach for efficient SMILES storage for random access in Virtual Screening. CoRR (2024)
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Yuedong Zhang, Emanuele Vitali, Bruno Guindani, Danilo Ardagna, Cristina Silvano, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Akash Deep Biswas, Jan Martinovic, Martin Golasowski, Paulo Silva, Ada Böhm, Jakub Beránek, Jan Krenek, Branislav Jansik, Peter Thoman, Philip Salzmann, Thomas Fahringer, Torsten Schwede, Leila Tamara Alexander, Gerardo Tauriello, Janani Durairaj, Biagio Cosenza, Luigi Crisci, Andrew Emerson, Federico Ficarelli, Eric Lindahl, Sebastian Wingbermühle, Daniele Gregori, Silvano Coletti, Emanuele Sana, Philipp Gschwandtner
LIGATE - LIgand Generator and portable drug discovery platform AT Exascale. CF (Companion) (2024)
Emanuele Vitali, Federico Ficarelli, Mauro Bisson, Davide Gadioli, Gianmarco Accordi, Massimiliano Fatica, Andrea Rosario Beccari, Gianluca Palermo
GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis. J. Parallel Distributed Comput. 186 (2024)
Gianmarco Accordi, Davide Gadioli, Gianluca Palermo, Luigi Crisci, Lorenzo Carpentieri, Biagio Cosenza, Andrea Rosario Beccari
Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study. IWOCL (2024)
Davide Gadioli, Emanuele Vitali, Federico Ficarelli, Chiara Latini, Candida Manelfi, Carmine Talarico, Cristina Silvano, Carlo Cavazzoni, Gianluca Palermo, Andrea Rosario Beccari
EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2. IEEE Trans. Emerg. Top. Comput. 11 (1) (2023)
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Biagio Cosenza, Luigi Crisci, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermühle, Eric Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. CF (2023)
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Luigi Crisci, Biagio Cosenza, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermuhle, Eric Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. CoRR (2023)
Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis, Andrea Rosario Beccari
ProfhEX: AI-based platform for small molecules liability profiling. J. Cheminformatics 15 (1) (2023)
Lorenzo Carpentieri, Marco D'Antonio, Kaijie Fan, Luigi Crisci, Biagio Cosenza, Federico Ficarelli, Daniele Cesarini, Gianmarco Accordi, Davide Gadioli, Gianluca Palermo, Peter Thoman, Philip Salzmann, Philipp Gschwandtner, Markus Wippler, Filippo Marchetti, Daniele Gregori, Andrea Rosario Beccari
Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications. SC Workshops (2023)
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, Alessandro Pedretti, Carmen Gratteri, Filippo Lunghini, Andrea Rosario Beccari, Carmine Talarico
GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection. CoRR (2022)
Davide Gadioli, Emanuele Vitali, Federico Ficarelli, Chiara Latini, Candida Manelfi, Carmine Talarico, Cristina Silvano, Andrea Rosario Beccari, Gianluca Palermo
An extreme-scale virtual screening platform for drug discovery. CF (2022)
Candida Manelfi, Marica Gemei, Carmine Talarico, Carmen Cerchia, Anna Fava, Filippo Lunghini, Andrea Rosario Beccari
"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool. J. Cheminformatics 13 (1) (2021)
Davide Gadioli, Emanuele Vitali, Federico Ficarelli, Chiara Latini, Candida Manelfi, Carmine Talarico, Cristina Silvano, Carlo Cavazzoni, Gianluca Palermo, Andrea Rosario Beccari
EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers. CoRR (2021)