Toward a generalized computational workflow for exploiting transient pockets as new targets for small molecule stabilizers: Application to the homogentisate 1, 2-dioxygenase mutants at the base of rare disease Alkaptonuria. - Andrea Bernini; Silvia Galderisi; Ottavia Spiga; Giulia Bernardini 003; Neri Niccolai; Fabrizio Manetti; Annalisa Santucci (Comput. Biol. Chem., 2017)

ApreciseKUre: an approach of Precision Medicine in a Rare Disease. - Ottavia Spiga; Vittoria Cicaloni; Andrea Bernini; Andrea Zatkova; Annalisa Santucci (BMC Medical Informatics Decis. Mak., 2017)

A new integrated and interactive tool applicable to inborn errors of metabolism: Application to alkaptonuria. - Ottavia Spiga; Vittoria Cicaloni; Andrea Zatkova; Lia Millucci; Giulia Bernardini 003; Andrea Bernini; Barbara Marzocchi; Monica Bianchini; Andrea Zugarini; Alberto Rossi; Matteo Zazzeri; Alfonso Trezza; et al. (Comput. Biol. Medicine, 2018)

Transient pockets as mediators of gas molecules routes inside proteins: The case study of dioxygen pathway in homogentisate 1, 2-dioxygenase and its implication in Alkaptonuria development. - Andrea Bernini; Silvia Galderisi; Ottavia Spiga; Chukwudi Onyekachi Amarabom; Annalisa Santucci (Comput. Biol. Chem., 2020)

AKUImg: A database of cartilage images of Alkaptonuria patients. - Alberto Rossi; Giorgia Giacomini; Vittoria Cicaloni; Silvia Galderisi; Maria Serena Milella; Andrea Bernini; Lia Millucci; Ottavia Spiga; Monica Bianchini; Annalisa Santucci (Comput. Biol. Medicine, 2020)

Machine learning application for patient stratification and phenotype/genotype investigation in a rare disease. - Ottavia Spiga; Vittoria Cicaloni; Giovanna Maria Dimitri; Francesco Pettini; Daniela Braconi; Andrea Bernini; Annalisa Santucci (Briefings Bioinform., 2021)

Bioinformatics Approaches to Predict Mutation Effects in the Binding Site of the Proangiogenic Molecule CD93. - Vittoria Cicaloni; Malancha Karmakar; Luisa Frusciante; Francesco Pettini; Anna Visibelli; Maurizio Orlandini; Federico Galvagni; Maurizio Mongiat; Michael Silk; Federica Nardi; David B. Ascher; Annalisa Santucci; et al. (Frontiers Bioinform., 2022)

Structural Bioinformatic Survey of Protein-Small Molecule Interfaces Delineates the Role of Glycine in Surface Pocket Formation. - Pietro Bongini; Neri Niccolai; Alfonso Trezza; Guido Mangiavacchi; Annalisa Santucci; Ottavia Spiga; Monica Bianchini; Simone Gardini (IEEE ACM Trans. Comput. Biol. Bioinform., 2022)

Predicting therapy dropout in chronic pain management: a machine learning approach to cannabis treatment. - Anna Visibelli; Rebecca Finetti; Bianca Roncaglia; Paolo Poli; Ottavia Spiga; Annalisa Santucci (Frontiers Artif. Intell., 2025)