Elucidating enzyme-substrate specificity through co-folding foundation model
Xiwei Cheng, Seonghwan Seo, Charlie Huh, Jihang Chen, Songlin Jiang, Pengkang Guo, Jing‐Ke Weng, Woo Youn Kim, 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.
bioRxiv · Aug 2, 2026 · PreprintBioinformatics