Intramolecular and Water Mediated Tautomerism of Solvated Glycine #MolecularDynamics pubs.acs.org/doi/10.1021/ac… Pengchao Zhang Parrinello Group #JCIM Vol64 Issue9 #Letter

Check this preprint from Timothée Devergne and Vkostic fruit of the collaboration with our neighbors of Massimiliano Pontil group here at IIT 🙌🙌

Want to build reactive #machinelearning potentials for chemical and catalytic processes (and more generally, rare events) in a data-efficient way? Check out this work by Luigi Bonati and Simone Perego! 🚀🚀

📢 Thrilled to announce our latest paper in collaboration with Parrinello Group, now published in ACS J. Chem. Theory Comput. 🧪🔬 Our study introduces an innovative algorithm for quantitatively analyzing protein folding dynamics. Check it out here: pubs.acs.org/doi/10.1021/ac…

Congrats to Luigi Bonati for being awarded the Young Talent label, and also the IACS Young Researcher Travel Prize 🚀💥 #ICC2024

Are you at #SCI2024? Our group is present with numerous contributions: • Luigi Bonati, today 28/08 h.12.00 green1 room • Umberto Umberto Raucci, 28/08 h. 16.30 blue2 • Michele Parrinello, tomorrow 29/08 h. 8.30 orange3 • Simone Simone Perego, 29/08 h. 10.00 yellow1 see you there!

Great talk by Luigi Bonati on reactive ML potentials for catalysis at Società Chimica Italiana 2024 congress!