Greta Donati

8PUBLICATIONS
28CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designPhotonics, optoelectronics and optical communicationsComputational chemistryMolecular targets
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (8)

|Jul 12, 2025
Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical Approach.

Federico Coppola, Fulvio Perrella, Alessio Petrone

|Mar 06, 2025
Deepening bis-(thio)carbohydrazones conformational dynamics and hydrogen bond interactions in a non-protic solvent: DFT, molecular dynamics, NMR, and Raman investigations.

Federica Santoro, Vincenzo Maria D'Amore, Alessio Zavaroni

|Oct 16, 2024
Synthesis and Preliminary Studies for In Vitro Biological Activity of Two New Water-Soluble Bis(thio)carbohydrazones and Their Copper(II) and Zinc(II) Complexes.

Alessio Zavaroni, Elena Riva, Valentina Borghesani

|Dec 19, 2023
A combined approach of structure-based virtual screening and NMR to interrupt the PD-1/PD-L1 axis: Biphenyl-benzimidazole containing compounds as novel PD-L1 inhibitors.

Greta Donati, Monica Viviano, Vincenzo Maria D'Amore

|Dec 23, 2022
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation.

Greta Donati, Nadia Rega

|Sep 22, 2022
Simulation of self-heating process on the nanoscale: a multiscale approach for molecular models of nanocomposite materials.

Greta Donati, Antonio De Nicola, Gianmarco Munaò

Pageof 2

Frequent Collaborators

3 joint publications

Nadia Rega

2 joint publications

Mauro Carcelli

2 joint publications

Fulvio Perrella

2 joint publications

Alessio Petrone