Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities. - Jozica Dolenc; Sereina Riniker; Roberto Gaspari; Xavier Daura; Wilfred F. van Gunsteren (J. Comput. Aided Mol. Des., 2011)

Extended diffusion theory: Recovering dynamics from biased/accelerated molecular simulations. - Arnaldo Rapallo; Roberto Gaspari; Gianvito Grasso; Andrea Danani (J. Comput. Chem., 2021)

One size fits all: Enhanced zero-shot text classification for patient listening on social media. - Veton Matoshi; Maria Carmela De Vuono; Roberto Gaspari; Mark Kröll; Michael Jantscher; Sara Lucia Nicolardi; Giuseppe Mazzola; Manuela Rauch; Vedran Sabol; Eileen Salhofer; Riccardo Mariani (Frontiers Artif. Intell., 2024)