BioinformaticsbioRxivPreprint
Elucidating enzyme-substrate specificity through co-folding foundation model
Xiwei Cheng, Seonghwan Seo, Charlie Huh…·Wengong Jin
This paper introduces Boltz2ESI, a framework predicting enzyme-substrate interactions using a foundation model, outperforming existing methods by capturing active-site plasticity and evolutionary context.
DOI 10.64898/2026.07.30.741672