Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions. - Agostino Bruno; Antonio Entrena Guadix; Gabriele Costantino (J. Chem. Inf. Model., 2009)

Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets. - Joana Magalhães; Giannamaria Annunziato; Nina Franko; Marco Pieroni; Barbara Campanini; Agostino Bruno; Gabriele Costantino (J. Chem. Inf. Model., 2018)