AI enzyme simulations hit near-quantum accuracy, ~1000x faster than QM/MM
AIatMeta · x · 2026-09-11
Researchers in Andrew Ferguson's group at the University of Chicago report AI-driven simulations of entire enzyme systems with explicit solvent (100k atoms) at near-quantum accuracy, matching real experimental measurements of enzyme activity—about 1,000x faster than SOTA QM/MM methods. A notable AI-for-Science milestone in biomolecular simulation.
Related event: AI speeds up full-atom enzyme simulations ~1000x at near-quantum accuracy(2 posts)→
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