Roberto Fino

Publication Activity (10 Years)

Years Active: 2015-2023
Publications (10 Years): 3

Top Topics

Protein Folding

Machine Learning

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

Publications

Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter K. Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis
NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics. J. Chem. Inf. Model. 63 (18) (2023)
Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter K. Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics. CoRR (2022)
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, Grzegorz M. Popowicz
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. J. Chem. Inf. Model. 61 (10) (2021)
Luigi Di Biasi, Roberto Fino, Rosaura Parisi, Lucia Sessa, Giuseppe Cattaneo, Alfredo De Santis, Pio Iannelli, Stefano Piotto
Novel Algorithm for Efficient Distribution of Molecular Docking Calculations. WIVACE (2015)