Combination of Coevolutionary Information and Supervised Learning Enables Generation of Cyclic Peptide Inhibitors with Enhanced Potency from a Small Data Set

• Ylenia Mazzocato,
• Nicola Frasson,
• Matthew Sample,
• Cristian Fregonese,
• Angela Pavan,
• Alberto Caregnato,
• Marta Simeoni,
• Alessandro Scarso,
• Laura Cendron,
• Petr Šulc,
• Alessandro Angelini

Affiliations

Ylenia Mazzocato

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy

Nicola Frasson

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy

Matthew Sample

School of Molecular Sciences and Centre for Molecular Design and Biomimetics, The Biodesign Institute, Arizona State University, Tempe, Arizona, United States

Cristian Fregonese

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy

Angela Pavan

Department of Biology, University of Padua, Padua, Italy

Alberto Caregnato

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy

Marta Simeoni

Department of Environmental Sciences, Informatics and Statistics, Ca’ Foscari University of Venice, Mestre, Italy

Alessandro Scarso

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy

Laura Cendron

Department of Biology, University of Padua, Padua, Italy

Petr Šulc

School of Molecular Sciences and Centre for Molecular Design and Biomimetics, The Biodesign Institute, Arizona State University, Tempe, Arizona, United States

Alessandro Angelini

Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Mestre, Italy