Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1, 2, 3-Dithiazoles. - Mario Prejanò; Isabella Romeo; Maria Antonietta La Serra; Nino Russo; Tiziana Marino (J. Chem. Inf. Model., 2021)

On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study. - Angela Parise; Giada Ciardullo; Mario Prejanò; Aurélien de la Lande; Tiziana Marino (J. Chem. Inf. Model., 2022)

On the dual role of (+)-catechin as primary antioxidant and inhibitor of viral proteases. - Giada Ciardullo; Carla Orlando; Nino Russo; Emanuela Marchese; Annia Galano; Tiziana Marino; Mario Prejanò (Comput. Biol. Medicine, 2024)

Viral RNA Replication Suppression of SARS-CoV-2: Atomistic Insights into Inhibition Mechanisms of RdRp Machinery by ddhCTP. - Giada Ciardullo; Angela Parise; Mario Prejanò; Tiziana Marino (J. Chem. Inf. Model., 2024)

On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation. - Alessandra G. Ritacca; Mario Prejanò; Marta Erminia Alberto; Tiziana Marino; Marirosa Toscano; Nino Russo (J. Comput. Chem., 2024)