MoleculeMind's QuantaMind AI Simulates Full Enzyme Reactions, Hits SOTA Speed
Shanghai – September 17, 2026 -- MoleculeMind, an AI-native bioengineering infrastructure company, has had research on its reactive atomistic modeling platform QuantaMind published in Science Advances, demonstrating Density Functional Theory (DFT)-level accuracy in simulating 10,000-atom biomolecular systems over tens-of-nanosecond timescales.
QuantaMind becomes first platform to simulate a complete enzyme reaction cycle
The study shows QuantaMind enabling AI to observe the full atomic-scale process of proton transfer, bond breaking and formation, and complete enzyme catalytic cycles. In industrial deployments, the platform has been scaled further to model reactive systems comprising hundreds of thousands of atoms.