Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data

por Salvadori, Andrea, Del Frate, Gianluca, Pagliai, Marco, Mancini, Giordano, Barone, Vincenzo
Publicado 2016

Force Field Parametrization of Metal Ions from Statistical Learning Techniques

por Fracchia, Francesco, Del Frate, Gianluca, Mancini, Giordano, Rocchia, Walter, Barone, Vincenzo
Publicado 2017

Tuning of dye optical properties by environmental effects: a QM/MM and experimental study

por Del Frate, Gianluca, Bellina, Fabio, Mancini, Giordano, Marianetti, Giulia, Minei, Pierpaolo, Pucci, Andrea, Barone, Vincenzo
Publicado 2016

Development and Validation of a Docking-Based Virtual Screening Platform for the Identification of New Lactate Dehydrogenase Inhibitors

por Granchi, Carlotta, Capecchi, Alice, Del Frate, Gianluca, Martinelli, Adriano, Macchia, Marco, Minutolo, Filippo, Tuccinardi, Tiziano
Publicado 2015

Probing Liquid-Ordered and Disordered Phases in Lipid Model Membranes: A Combined Theoretical and Spectroscopic Study of a Fluorescent Molecular Rotor

por Del Frate, Gianluca, Macchiagodena, Marina, Akhunzada, Muhammad Jan, D’Autilia, Francesca, Catte, Andrea, Bhattacharjee, Nicholus, Barone, Vincenzo, Cardarelli, Francesco, Brancato, Giuseppe
Publicado 2022