The Atomistic Simulations research unit has been recently opened among Istituto Italiano di Tecnologia. For more information, please, contact the Principal Investigator Michele Parrinello
Atomistic Simulations
The latest 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
Raucci U.
Capturing Excited State Proton Transfer Dynamics with Reactive Machine Learning Potentials
Journal of Physical Chemistry Letters, pp. 4900-4906
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
People
Principal Investigator
Atomistic Simulations
IIT OpenTalk Magazine - Lab Highlights Show all >