Protein-ligand binding site detection as an alternative route to molecular docking and drug repurposing. - Daniele Toti; Gabriele Macari; Fabio Polticelli (Bio Algorithms Med Syst., 2018)

Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies. - Gabriele Macari; Daniele Toti; Fabio Polticelli (J. Comput. Aided Mol. Des., 2019)

FGDB: a comprehensive graph database of ligand fragments from the Protein Data Bank. - Daniele Toti; Gabriele Macari; Enrico Barbierato; Fabio Polticelli (Database J. Biol. Databases Curation, 2022)