JUWELS in action: researchers develop model to predict enzyme function using supercomputer

An interdisciplinary team of experts from the Forschungszentrum Jülich from Helmholtz Information, the HHU Düsseldorf and the Helmholtz AI at the Helmholtz Centre Munich has developed a new model for machine learning at the molecular level. The AI model ‘TopEC’ analyses enzyme structures, learns their chemical reactions and can derive their functions from this. A major step for enzyme technology and biocatalysis. The model was trained on the JUWELS supercomputer at the JSC. (Source: Jülich Supercomputing Centre – News flashes) Proteins are the basis of all cellular life. Knowledge of their three-dimensional structure, which was first recognised in 1958, has since…