Novel Algorithm for Efficient Distribution of Molecular Docking Calculations. - Luigi Di Biasi; Roberto Fino; Rosaura Parisi; Lucia Sessa; Giuseppe Cattaneo; Alfredo De Santis; Pio Iannelli; Stefano Piotto (WIVACE, 2015)

Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2, 3, 4, 5-Tetrahydrobenzo[F][1, 4]oxazepines as Potential New Trypanocidal Agents. - Roberto Fino; Dominik Lenhart; Vishal C. Kalel; Charlotte A. Softley; Valeria Napolitano; Ryan Byrne; Wolfgang Schliebs; Maciej Dawidowski; Ralf Erdmann; Michael Sattler; Gisbert Schneider; Oliver Plettenburg; et al. (J. Chem. Inf. Model., 2021)

NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics. - Raimondas Galvelis; Alejandro Varela-Rial; Stefan Doerr; Roberto Fino; Peter K. Eastman; Thomas E. Markland; John D. Chodera; Gianni De Fabritiis (CoRR, 2022)

NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics. - Raimondas Galvelis; Alejandro Varela-Rial; Stefan Doerr; Roberto Fino; Peter K. Eastman; Thomas E. Markland; John D. Chodera; Gianni De Fabritiis (J. Chem. Inf. Model., 2023)