Stamm, F., Wan, Z., Vargas-Rosales, P. A., Corbeski, I., Braud, E., Iannazzo, L., … Caflisch, A. (2026). Catalysis Tuned for Metabolic Sensing: Dynamics and Mechanism of the RNA Methyltransferase METTL16. RSC Chemical Biology. https://doi.org/10.1039/D6CB00242K (Original work published)

Vedove, D., Cazzanelli, G., D’Agostino, V. G., Vargas-Rosales, P. A., Caflisch, A., & Lolli, G. (2026). Unusual Backfolded Binding Poses of BAZ2A Bromodomain Binders. Acta Crystallographica Section D, Structural Biology, 82(7), 1-9. https://doi.org/10.1107/S2059798326004596 (Original work published)

Vargas-Rosales, P. A., Giangreco, G., & Caflisch, A. (2025). Disrupting Amyloid Filaments of Tau by Means of Electric Fields. The Journal of Physical Chemistry B, 129(36), 9124-9137. https://doi.org/10.1021/acs.jpcb.5c04393 (Original work published)

Invernizzi, A., Nai, F., Bedi, R. K., Vargas-Rosales, P. A., Li, Y., Bochenkova, E., … Caflisch, A. (2025). Discovery of YTHDF2 Ligands by Fragment-Based Design. ACS Bio & Med Chem Au, 5(4), 753–765. https://doi.org/10.1021/acsbiomedchemau.5c00099 (Original work published)

Vitalis, A., Parker, D., Radler, F., Vargas-Rosales, P. A., Zhang, Y., Marchand, J.-R., & Caflisch, A. (2025). Parallelized tools for the preparation and curation of large libraries for virtual screening. Journal of Computational Chemistry, 46(7). https://doi.org/10.1002/jcc.70074

Vargas-Rosales, P. A., & Caflisch, A. (2025). The Physics-AI dialogue in drug design. RSC Medicinal Chemistry, 16, 1499-1515. https://doi.org/10.1039/d4md00869c (Original work published)

Nai, F., Flores-Espinoza, M., Invernizzi, A., Vargas-Rosales, P. A., Bobileva, O., Herok, M., & Caflisch, A. (2023). Small-molecule inhibitors of the m7G-RNA writer METTL1. ACS Bio & Med Chem Au, 4(2), 100-110. https://doi.org/10.1021/acsbiomedchemau.3c00030 (Original work published)

Corbeski, I., Vargas-Rosales, P. A., Bedi, R. K., Deng, J., Coelho, D., Braud, E., … Caflisch, A. (2024). The catalytic mechanism of the RNA methyltransferase METTL3. ELife, 12, RP92537. https://doi.org/10.7554/eLife.92537.3 (Original work published)

Vargas-Rosales, P. A., DAddio, A., Zhang, Y., & Caflisch, A. (2023). Disrupting dimeric β-amyloid by electric fields. ACS Physical Chemistry Au, 3(5), 456–466. https://doi.org/10.1021/acsphyschemau.3c00021 (Original work published)

Vargas-Rosales, P. A., & Caflisch, A. (2022). Domino effect in allosteric signaling of peptide binding. Journal of Molecular Biology, 434(17), 167661. https://doi.org/10.1016/j.jmb.2022.167661 (Original work published)