Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case. - Bruno Giovanni Galuzzi; Antonio Mirarchi; Edoardo Luca Viganò; Luca De Gioia; Chiara Damiani; Federica Arrigoni (J. Chem. Inf. Model., 2022)

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations. - Raúl P. Peláez; Guillem Simeon; Raimondas Galvelis; Antonio Mirarchi; Peter K. Eastman; Stefan Doerr; Philipp Thölke; Thomas E. Markland; Gianni De Fabritiis (CoRR, 2024)

On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials. - Guillem Simeon; Antonio Mirarchi; Raúl P. Peláez; Raimondas Galvelis; Gianni De Fabritiis (CoRR, 2024)

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics. - Antonio Mirarchi; Raúl P. Peláez; Guillem Simeon; Gianni De Fabritiis (CoRR, 2024)