AUTHOR=Ilari Andrea , Morea Veronica , Miele Adriana Erica TITLE=Editorial: Insights in theoretical modelling, 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.2025.1653901 DOI=10.3389/fchbi.2025.1653901 ISSN=2813-530X