Gianluca Del Frate

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

Andrea Salvadori, Gianluca Del Frate, Marco Pagliai et al. · International Journal of Quantum Chemistry · 2016 · 65 citations · Full text

Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution

Tommaso Giovannini, Gianluca Del Frate, Piero Lafiosca et al. · Physical Chemistry Chemical Physics · 2018 · 49 citations · Full text

Engineering, Aqueous Solution, Spectroscopy +14

Force Field Parametrization of Metal Ions from Statistical Learning Techniques

F. David Fracchia, Gianluca Del Frate, Giordano Mancini et al. · Journal of Chemical Theory and Computation · 2017 · 46 citations · Full text

A combined experimental and theoretical study of optical rotatory dispersion for (<i>R</i>)-glycidyl methyl ether in aqueous solution

Franco Egidi, Tommaso Giovannini, Gianluca Del Frate et al. · Physical Chemistry Chemical Physics · 2018 · 35 citations · Full text

Implicit Solvation, Optical Materials, Engineering +16

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

Carlotta Granchi, Alice Capecchi, Gianluca Del Frate et al. · Molecules · 2015 · 29 citations · Full text

Drug Target, Hit Identification, Human Muscle Isoform +17