TCMM LAB

Check out our recent paper: "PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method". pubs.acs.org/doi/10.1021/ac…

Our contribution to #EBSA2025 @SIBPA_

Happy to share this new work thanks to the joined effort of Merck KGaA GHO and our group! Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical–Computational Study | The Journal of Physical Chemistry B pubs.acs.org/doi/10.1021/ac… @JPhysChem

A Theoretical-Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature (Marco D'Abramo and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

The conclusion of my PhD journey🎓 Thanks again to my supervisor and the research group!

Xmas beer party!🎄🎄

It was a pleasure to contribute with a poster at #EuChemSCompChem2023 in Thessaloniki! Amazing talks and great people! Many thanks to the organisers @EuChemS

Check out our latest work: Unveiling the Excited State Dynamics of Indole in Solution | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…

Group Meeting 🇬🇧🇦🇹🇪🇸🇮🇹 @mldesciscio @AlessN_Nardi @GiuseppeChen6 @alessio2830

Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis mdpi.com/2160104 #mdpimolecules via @Molecules_MDPI @MDPIOpenAccess @RiccardoSalvio @Pymm_Lab @alessio2830

Happy to share our new study on the Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP mdpi.com/2070856 #mdpimolecules via @Molecules_MDPI @MDPIOpenAccess

We are so excited to share our JCTC cover! @ACS4Authors #MyACSCover It's about our program PyMM to run MD-PMM simulations #QMMM: pubs.acs.org/doi/10.1021/ac… Check it out on GitHub: github.com/ChenGiuseppe/P…

You can find it in our public GitHub repository: github.com/ChenGiuseppe/P…

Check out our recent paper: "PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method". pubs.acs.org/doi/10.1021/ac…