TCMM LAB

Computational Chemistry Group Led by Prof. Marco D'Abramo at @SapienzaRoma

[TCMM LAB @Pymm_Lab]

Check out our recent paper:
"PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method".
https://t.co/fywT0vtacI

[TCMM LAB @Pymm_Lab]

Our contribution to #EBSA2025 @SIBPA_

[Alessandro Nicola Nardi @AlessN_Nardi]

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 https://t.co/KCDpWqciNh @JPhysChem

[ChemPhysChem @ChemPhysChem]

A Theoretical-Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature (Marco D'Abramo and co-workers) https://t.co/jl14D8LDyZ

[Alessandro Nicola Nardi @AlessN_Nardi]

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

[TCMM LAB @Pymm_Lab]

Xmas beer party!🎄🎄

[Alessandro Nicola Nardi @AlessN_Nardi]

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

[TCMM LAB @Pymm_Lab]

Check out our latest work:

Unveiling the Excited State Dynamics of Indole in Solution | Journal of Chemical Theory and Computation https://t.co/Ek9ugfzwW3

[TCMM LAB @Pymm_Lab]

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

[Alessandro Nicola Nardi @AlessN_Nardi]

Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis https://t.co/B7buLYQYsF #mdpimolecules via @Molecules_MDPI @MDPIOpenAccess @RiccardoSalvio @Pymm_Lab @alessio2830

[Alessandro Nicola Nardi @AlessN_Nardi]

Happy to share our new study on the Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP https://t.co/Oh0dXpAjF8 #mdpimolecules via @Molecules_MDPI @MDPIOpenAccess

[TCMM LAB @Pymm_Lab]

We are so excited to share our JCTC cover!
@ACS4Authors #MyACSCover

It's about our program PyMM to run MD-PMM simulations #QMMM:
https://t.co/LgykavgunL

Check it out on GitHub:
https://t.co/h85uPImakS

[TCMM LAB @Pymm_Lab]

You can find it in our public GitHub repository:
https://t.co/h85uPIDLcq

[TCMM LAB @Pymm_Lab]

Check out our recent paper:
"PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method".
https://t.co/fywT0vtacI