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Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App., , , , , , , , , and . J. Supercomput., 77 (1): 841-869 (2021)Autotuning and adaptivity in energy efficient HPC systems: the ANTAREX toolbox., , , , , , , , , and 15 other author(s). CF, page 270-275. ACM, (2018)Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App., , , , , , , , , and . CoRR, (2019)ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors., , , , and . Bioinform., 34 (15): 2566-2574 (2018)EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers., , , , , , , , , and . CoRR, (2021)"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool., , , , , , and . J. Cheminformatics, 13 (1): 54 (2021)Supporting the Scale-Up of High Performance Application to Pre-Exascale Systems: The ANTAREX Approach., , , , , , , , , and 15 other author(s). PDP, page 116-123. IEEE, (2019)EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2., , , , , , , , , and . IEEE Trans. Emerg. Top. Comput., 11 (1): 170-181 (January 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., , , , , , , , and . J. Cheminformatics, 16 (1): 21 (December 2024)The ANTAREX tool flow for monitoring and autotuning energy efficient HPC systems., , , , , , , , , and 11 other author(s). SAMOS, page 308-316. IEEE, (2017)