AGAPE (computAtional G-quadruplex Affinitiy PrEdiction): The first AI In-silico workflow for G-quadruplex binding affinity prediction.
Luisa D’Anna, Salvatore Contino, Rosalinda Marinello, Julie Fares, Giada De Simone, Antonio Monari, Florent Barbault, Giampaolo Barone, Alessio Terenzi, Ugo Perricone
AGAPE predicts G-quadruplex binding affinity using ML, achieving 91% accuracy with molecular descriptors and quantum chemistry data.
bioRxiv · Nov 14, 2024 · PreprintBioinformatics