Phone
+39 010 2897 439
Research center
CHT@Erzelli
All Publications
2025
Das S., Raucci U., Trizio E., Kang P., Neves R.P., Ramos M.J., Parrinello M.
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
ACS Catalysis, vol. 15, (no. 11), pp. 9785-9792
2025
Visigalli A., Trizio E., Bonati L., Vidossich P., Parrinello M., De Vivo M.
Coordinated Residue Motions at the Enzyme-Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society
2025
Parrinello M., Greed S.
Discussions with a dignitary of molecular dynamics
Nature Reviews Chemistry, vol. 9, (no. 9)
Note
Journal
2025
Trizio E., Kang P., Parrinello M.
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
Nature Computational Science
Article
Journal
2025
Novelli P., Meanti G., Buigues P.J., Rosasco L., Parrinello M., Pontil M., Bonati L.
Fast and Fourier features for transfer learning of interatomic potentials
npj Computational Materials, vol. 11, (no. 1)
Colleagues of Atomistic Simulations
