Roberto Fino

According to our database, Roberto Fino authored at least 5 papers between 2015 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2026

Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological Systems: Protein Kinase Case Study.

Charles-Alexandre Mattelaer, Roberto Fino, Christian Permann, Thierry Langer, Edgar Jacoby, Jeremy N. Harvey

J. Chem. Inf. Model., 2026

2023

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., September, 2023

2022

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

2021

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, Grzegorz M. Popowicz

J. Chem. Inf. Model., 2021

2015

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

Proceedings of the Advances in Artificial Life, Evolutionary Computation and Systems Chemistry, 2015