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)

Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex. - Maria Antonietta La Serra; Pietro Vidossich; Isabella Acquistapace; Anand K. Ganesan; Marco de Vivo (J. Chem. Inf. Model., 2022)