Giovanni Bolcato

Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332

Matteo Pavan, Giovanni Bolcato, Davide Bassani et al. · Journal of Enzyme Inhibition and Medicinal Chemistry · 2021 · 70 citations · Full text

Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir

Giovanni Bolcato, Maicol Bissaro, Matteo Pavan et al. · Scientific Reports · 2020 · 62 citations · Full text

On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative Methods

Giovanni Bolcato, Esther Heid, Jonas Boström · Journal of Chemical Information and Modeling · 2022 · 37 citations · Full text

Engineering, Machine Learning, Deepfmpo V3d +16

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

Deborah Palazzotti, Maicol Bissaro, Giovanni Bolcato et al. · International Journal of Molecular Sciences · 2019 · 26 citations · Full text

A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection

José Jiménez-Luna, Alberto Cuzzolin, Giovanni Bolcato et al. · Molecules · 2020 · 26 citations · Full text