Frances H. Arnold

EZSolver: Template-Free Prediction of Polar Enzymatic Mechanisms via Bidirectional Flow Matching and Search

Abstract Predicting enzymatic reaction mechanisms is critical for understanding enzyme function and for the design and discovery of new enzymes. Current computational predictors rely on deterministic, rule-based dictionaries, which perform well on in-distribution tasks but fail t...

Enantiodivergent Carbon–PhosphorusBond Formationvia Enzymatic Carbene Insertion

Abstract Phosphorus is one of the six elements of life, yet enzymatic carbon–phosphorus (C–P) bond formation is exceedingly rare in nature. This gap in the biosynthetic toolkit is particularly consequential, given the prominence of stereogenic-at-phosphorus P(V) scaffolds in phar...