Yun-Sang So

Data-Driven Digital Twin for Amylosucrase from Deinococcus geothermalis: Accelerating Acceptor Discovery in Transglycosylation Reactions.

A data-driven "digital twin" using deep learning-based Molecular Embeddings (MolE) and L1-regularized logistic regression to decode these structural determinants of enzymatic transglycosylation, providing a promising ligand-based virtual screening approach for identifying novel acceptors in enzymatic transglycosylation.