ΔNAzyme: A Foundational QM/MM Δ-Machine Learning Potential for Nucleic Acid Enzyme Catalysis.
Nucleic acid enzymes (NAzymes), including ribozymes, DNAzymes, and XNAzymes, are programmable biocatalysts that catalyze diverse chemical reactions and provide unique platforms for investigating catalysis and engineering molecular function. Their central roles in biology and evolution, together with emerging applicatio...