The ANTAREX tool flow for monitoring and autotuning energy efficient HPC systems. - Cristina Silvano; Giovanni Agosta; Jorge G. Barbosa; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; João Bispo; João M. P. Cardoso; Carlo Cavazzoni; Stefano Cherubin; Radim Cmar; Davide Gadioli; et al. (SAMOS, 2017)

Autotuning and adaptivity in energy efficient HPC systems: the ANTAREX toolbox. - Cristina Silvano; Gianluca Palermo; Giovanni Agosta; Amir H. Ashouri; Davide Gadioli; Stefano Cherubin; Emanuele Vitali; Luca Benini; Andrea Bartolini; Daniele Cesarini; João M. P. Cardoso; João Bispo; et al. (CF, 2018)

ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors. - Matteo Lo Monte; Candida Manelfi; Marica Gemei; Daniela Corda; Andrea Rosario Beccari (Bioinform., 2018)

Supporting the Scale-Up of High Performance Application to Pre-Exascale Systems: The ANTAREX Approach. - Cristina Silvano; Giovanni Agosta; Andrea Bartolini; Andrea Rosario Beccari; Luca Benini; Loïc Besnard; João Bispo; Radim Cmar; João M. P. Cardoso; Carlo Cavazzoni; Daniele Cesarini; Stefano Cherubin; et al. (PDP, 2019)

EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Carlo Cavazzoni; Gianluca Palermo; Andrea Rosario Beccari (CoRR, 2021)

"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool. - Candida Manelfi; Marica Gemei; Carmine Talarico; Carmen Cerchia; Anna Fava; Filippo Lunghini; Andrea Rosario Beccari (J. Cheminformatics, 2021)

Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App. - Davide Gadioli; Gianluca Palermo; Stefano Cherubin; Emanuele Vitali; Giovanni Agosta; Candida Manelfi; Andrea Rosario Beccari; Carlo Cavazzoni; Nico Sanna; Cristina Silvano (J. Supercomput., 2021)

An extreme-scale virtual screening platform for drug discovery. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Andrea Rosario Beccari; Gianluca Palermo (CF, 2022)

EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2. - Davide Gadioli; Emanuele Vitali; Federico Ficarelli; Chiara Latini; Candida Manelfi; Carmine Talarico; Cristina Silvano; Carlo Cavazzoni; Gianluca Palermo; Andrea Rosario Beccari (IEEE Trans. Emerg. Top. Comput., 2023)

"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. - Candida Manelfi; Valerio Tazzari; Filippo Lunghini; Carmen Cerchia; Anna Fava; Alessandro Pedretti; Pieter F. W. Stouten; Giulio Vistoli; Andrea Rosario Beccari (J. Cheminformatics, 2024)