CatESO: Differentiable Enzyme Sequence Optimization Guided by Substrate-Aware kcat Prediction
Zhenjia Gan, Yuzhi Xu, Junde Xu, Zhihao Wu, Juping Huang, Jiabin Yin, Guangyong Chen, John Z. H. Zhang
CatESO optimizes enzyme sequences to improve catalytic turnover by integrating kcat prediction with differentiable design, achieving higher predicted activity and structural confidence than existing methods.
Journal of the American Chemical Society · Sep 4, 2026Peer-reviewedBiochemistry