Jokent Gaza, Monica J. Roth, Gaetano T. Montelione and Alberto Perez
Chem. Commun., 2025,61, 19028-19031
DOI:
10.1039/D5CC05032D,
Communication
Open Access Learn more..AI-based protein design can rapidly generate thousands of candidate binders, but most fail to fold or bind productively, creating a critical need for robust prioritization. We present a generalizable hybrid pipeline that integrates deep-learning design and physics-based simulations to filter large libraries down to a handful of high-confidence candidates.
