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Journal of Chemical Information and Modeling|January 7, 2025
Dissecting Methionine Oxidation by Hydrogen Peroxide in Proteins: Thermodynamics, Kinetics, and Susceptibility DescriptorsMaria Laura De Sciscio, Fabio Centola, Simona Saporiti, et al.Proteins|October 31, 2025
In Silico Structural Analysis of Human β-Glucuronidase for Antibody-Drug Conjugates OptimizationGiorgia Canini, Simona Saporiti, Crescenzo Coppa, et al.Biophysical Journal|October 28, 2021
IgG1 conformational behavior: elucidation of the N-glycosylation role via molecular dynamicsSimona Saporiti, Chiara Parravicini, Carlo Pergola, et al.Frontiers in Immunology|January 26, 2026
Antigen binding triggers long-range conformational changes in monoclonal antibodiesDavide Bianchi, Simona Saporiti, Wolf Palinsky, et al.Frontiers in Immunology|August 26, 2024
In silico evaluation of the role of Fab glycosylation in cetuximab antibody dynamicsSimona Saporiti, Davide Bianchi, Omar Ben Mariem, et al.Journal of Chemical Information and Modeling|September 19, 2025
Mechanism-Driven Features Enable Asn Deamidation Reactivity Prediction via Machine Learning MethodsMaria Laura De Sciscio, Rosa De Troia, Joann Kervadec, et al.International Journal of Molecular Sciences|July 27, 2022
Molecular Modelling of NONO and SFPQ Dimerization Process and RNA Recognition MechanismTommaso Laurenzi, Luca Palazzolo, Elisa Taiana, et al.Proteins|December 13, 2022
In silico investigation on structure-function relationship of members belonging to the human SLC52 transporter familyOmar Ben Mariem, Simona Saporiti, Uliano Guerrini, et al.International Journal of Molecular Sciences|March 28, 2024
In Silico Description of the Direct Inhibition Mechanism of Endothelial Lipase by ANGPTL3Linda Montavoci, Omar Ben Mariem, Simona Saporiti, et al.Journal of Interferon & Cytokine Research : the Official Journal of the International Society for Interferon and Cytokine Research|May 9, 2022
Asn25 Deamidation as an Allosteric Tool to Increase IFNβ-1a Biological ActivityElisa Lipari, Simona Saporiti, Ivano Eberini, et al.Pageof 2