Évolution, structure et inhibition des systèmes de sécrétion bactériens. (Evolution, structure, and inhibition of bacterial secretion systems). - Isaac Filella-Merce (2022)

Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks. - Isaac Filella-Merce; Alexis Molina; Marek Orzechowski; Lucía Díaz; Yang Ming Zhu; Julia Vilalta Mor; Laura Malo; Ajay S. Yekkirala; Soumya S. Ray; Victor Guallar (CoRR, 2023)

Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores. - Álvaro Ciudad; Adrián Morales-Pastor; Laura Malo; Isaac Filella-Merce; Victor Guallar; Alexis Molina (CoRR, 2024)

AlignScape, displaying sequence similarity using self-organizing maps. - Isaac Filella-Merce; Vincent Mallet; Eric Durand; Michael Nilges; Guillaume Bouvier; Riccardo Pellarin (Frontiers Bioinform., 2024)

Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation. - Julia Vilalta Mor; Alexis Molina; Laura Ortega Varga; Isaac Filella-Merce; Victor Guallar (CoRR, 2025)