Latest Publications

2026

• Modulation of retroviral capsid assembly halts ARC-mediated TDP-43 intercellular spreading
  Andres Jimenez-Zuniga et al.
  submitted to CELL

• Computational Analysis of ELOVL6 Structure and Inhibition for Rational Drug Design
  MG Ibarluzea, R Ramis, FJ Gil-Bea, G Gerenu, AL De Munain, …
  Journal of Chemical Information and Modeling 66, 12 7264-7275

2025

• Multivalent Interactions between Chaperone and Ribosome-Nascent Chain Complex Revealed by High-Speed AFM and MD Simulations
  E Nuñez, P Saha, M G. Ibarluzea, A Muguruza-Montero, S M-Alicante, …
  ACS Nano, 19, 50, 42275–42287

• Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins
  M Baltasar-Marchueta, N López, S Alicante, I Barbolla, M Garcia Ibarluzea, …
  Journal of Chemical Information and Modeling, 65 (21), 11892-11907

2024

• Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy
  M Baltasar-Marchueta, L Llona, M Sara, I Barbolla, MG Ibarluzea, …
  Biomedicine & Pharmacotherapy 174, 116602

• MLe-KCNQ2: An Artificial Intelligence Model for the Prognosis of Missense KCNQ2 Gene Variants
  A Saez-Matia, MG Ibarluzea, S M-Alicante, A Muguruza-Montero, …
  International Journal of Molecular Sciences 25 (5), 2910

2023

• Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel
  Rafael Ramis, Óscar R. Ballesteros, Arantza Muguruza-Montero, Sara M-Alicante, Eider Núñez, Álvaro Villarroel, Aritz Leonardo, Aitor Bergara.
  Journal of Biological Chemistry 299 (2)