# Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning

> Research article (Journal of Chemical Information and Modeling, 2023) · cited 12× · AI/ML

**Wikidata**: [openalex:W4384942549](https://www.wikidata.org/wiki/openalex:W4384942549)  
**Source**: https://4ort.xyz/entity/prediction-of-enzyme-catalysis-by-computing-reaction-energy-barriers-via-steered-qm-mm-molecular-dynamics-simulations-an