ACCORDI, GIANMARCO
ACCORDI, GIANMARCO
DIPARTIMENTO DI ELETTRONICA, INFORMAZIONE E BIOINGEGNERIA
Enabling performance portability on the LiGen drug discovery pipeline
2024-01-01 Crisci, Luigi; Carpentieri, Lorenzo; Cosenza, Biagio; Accordi, Gianmarco; Gadioli, Davide; Vitali, Emanuele; Palermo, Gianluca; Beccari, Andrea Rosario
GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis
2024-01-01 Vitali, Emanuele; Ficarelli, Federico; Bisson, Mauro; Gadioli, Davide; Accordi, Gianmarco; Fatica, Massimiliano; Beccari, Andrea R.; Palermo, Gianluca
Harnessing quality-throughput trade-off in scoring functions for extreme-scale virtual screening campaigns
2025-01-01 Zhang, Yuedong; Accordi, Gianmarco; Gadioli, Davide; Palermo, Gianluca
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection
2026-01-01 Wingbermühle, Sebastian; Biswas, Akash Deep; Bonanni, Domenico; Shugaeva, Tatiana; Gadioli, Davide; Beránek, Jakub; Frumenzio, Giorgia; Querciagrossa, Lara; Piserchia, Andrea; Accordi, Gianmarco; Lunghini, Filippo; Talarico, Carmine; Emerson, Andrew; Martinovič, Jan; Rosario Beccari, Andrea; Palermo, Gianluca; Lindahl, Erik
Out of kernel tuning and optimizations for portable large-scale docking experiments on GPUs
2024-01-01 Accordi, Gianmarco; Gadioli, Davide; Vitali, Emanuele; Crisci, Luigi; Cosenza, Biagio; Beccari, Andrea; Palermo, Gianluca