Wen-Qiang Xu

KRstereo: Predicting β-Hydroxy Stereochemistry in Polyketides Using Protein Language Models

Polyketides are a major class of bioactive natural products whose activities are often determined by the stereochemistry of β-hydroxyl groups. In type I polyketide synthases (PKSs), ketoreductase (KR) domains establish these stereocenters, making accurate prediction of KR stereochemistry important for natural product...