Energy-based prediction of amino acid-nucleotide base recognition. - Anna Marabotti; Francesca Spyrakis; Angelo M. Facchiano; Pietro Cozzini; Saverio Alberti; Glen E. Kellogg; Andrea Mozzarelli (J. Comput. Chem., 2008)

Unintended consequences? Water molecules at biological and crystallographic protein-protein interfaces. - Mostafa H. Ahmed; Mesay Habtemariam; Martin K. Safo; J. Neel Scarsdale; Francesca Spyrakis; Pietro Cozzini; Andrea Mozzarelli; Glen E. Kellogg (Comput. Biol. Chem., 2013)

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. - Francesca Spyrakis; Paolo Benedetti; Sergio Decherchi; Walter Rocchia; Andrea Cavalli; Stefano Alcaro; Francesco Ortuso; Massimo Baroni; Gabriele Cruciani (J. Chem. Inf. Model., 2015)

First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase. - Francesca Spyrakis; Pierangelo Bellio; Antonio Quotadamo; Pasquale Linciano; Paolo Benedetti; Giulia D'Arrigo; Massimo Baroni; Laura Cendron; Giuseppe Celenza; Donatella Tondi (J. Comput. Aided Mol. Des., 2019)

Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus. - Luca Ronda; Alessandro Tonelli; Elisa Sogne; Ida Autiero; Francesca Spyrakis; Sara Pellegrino; Giorgio Abbiati; Elisa Maffioli; Carsten Schulte 002; Riccardo Piano; Pietro Cozzini; Andrea Mozzarelli; et al. (Sensors, 2020)

Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome. - Sarmistha Majumdar; Francesco Di Palma; Francesca Spyrakis; Sergio Decherchi; Andrea Cavalli (J. Chem. Inf. Model., 2023)