Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. - Giovanni Grazioso; Andrea Cavalli; Marco De Amici; Maurizio Recanatini; Carlo De Micheli (J. Comput. Chem., 2008)

Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations. - Jacopo Sgrignani; Claudia Bonaccini; Giovanni Grazioso; Matteo Chioccioli; Andrea Cavalli; Paola Gratteri (J. Comput. Chem., 2009)

Mechanism of falcipain-2 inhibition by α, β-unsaturated benzo[1, 4]diazepin-2-one methyl ester. - Giovanni Grazioso; Laura Legnani; Lucio Toma; Roberta Ettari; Nicola Micale; Carlo De Micheli (J. Comput. Aided Mol. Des., 2012)

Investigating the hydrogen-bond acceptor site of the nicotinic pharmacophore model: a computational and experimental study using epibatidine-related molecular probes. - Clelia Dallanoce; Giovanni Grazioso; Diego Yuri Pomè; Miriam Sciaccaluga; Carlo Matera; Cecilia Gotti; Sergio Fucile; Marco De Amici (J. Comput. Aided Mol. Des., 2013)

Covalent docking of selected boron-based serine beta-lactamase inhibitors. - Jacopo Sgrignani; Beatrice Novati; Giorgio Colombo 001; Giovanni Grazioso (J. Comput. Aided Mol. Des., 2015)

Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics. - Giovanni Grazioso; Jacopo Sgrignani; Romina Capelli; Carlo Matera; Clelia Dallanoce; Marco De Amici; Andrea Cavalli (J. Chem. Inf. Model., 2015)

Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors. - Jacopo Sgrignani; Filomena De Luca; Hayarpi Torosyan; Jean-Denis Docquier; Da Duan; Beatrice Novati; Fabio Prati; Giorgio Colombo 001; Giovanni Grazioso (J. Comput. Aided Mol. Des., 2016)

Structure-based drug design, synthesis and biological assays of P. falciparum Atg3-Atg8 protein-protein interaction inhibitors. - Stefania Villa; Laura Legnani; Diego Colombo; Arianna Gelain; Carmen Lammi; Daniele Bongiorno; Denise P. Ilboudo; Kellen E. McGee; Jürgen Bosch; Giovanni Grazioso (J. Comput. Aided Mol. Des., 2018)

Learning to Rank Food Images. - Dario Allegra; Daniela Erba; Giovanni Maria Farinella; Giovanni Grazioso; Paolo Danilo Maci; Filippo Stanco; Valeria Tomaselli (ICIAP (2), 2019)