Defining the Nature of Thermal Intermediate in 3 State Folding Proteins: Apoflavodoxin, a Study Case. - Rebeca García-Fandiño; Pau Bernadó; Sara Ayuso-Tejedor; Javier Sancho; Modesto Orozco (PLoS Comput. Biol., 2012)

Influence of the Length in Biomimetic Ion Channels Based on Derivatized ?, ?-Self Assembled Peptide Nanotubes. A Molecular Dynamics study. - Rebeca García-Fandiño; Juan Outeiral; Saulo Vazquez; Juan R. Granja (IWBBIO, 2014)

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)