Cyclo-lib: a database of computational molecular dynamics simulations of cyclodextrins. - Edgar Mixcoha; Roberto Rosende; Rebeca García-Fandiño; Ángel Piñeiro (Bioinform., 2016)

The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies. - Alexandre Blanco-Gonzalez; Alfonso Cabezon; Alejandro Seco-Gonzalez; Daniel Conde-Torres; Paula Antelo-Riveiro; Ángel Piñeiro; Rebeca García-Fandiño (CoRR, 2022)

Classical Simulations on Quantum Computers: Interface-Driven Peptide Folding on Simulated Membrane Surfaces. - Daniel Conde-Torres; Mariamo Mussa-Juane; Daniel Faílde; Andrés Gómez 002; Rebeca García-Fandiño; Ángel Piñeiro (Comput. Biol. Medicine, 2024)