AUTHOR=Exertier Cécile , Ilari Andrea TITLE=Specialty grand challenges in theoretical modeling, structure prediction and design JOURNAL=Frontiers in Chemical Biology VOLUME=Volume 4 - 2025 YEAR=2025 URL=https://www.frontiersin.org/journals/chemical-biology/articles/10.3389/fchbi.2025.1635423 DOI=10.3389/fchbi.2025.1635423 ISSN=2813-530X