Daniel Levine
@levine_ds
Research Scientist at FAIR (Fundamental AI Research) Chemistry, @AIatMeta @OpenCatalyst
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Today, w/ Andrew Ferguson's group at @UChiPritzker: we're able to simulate entire enzyme systems with explicit solvent (O(100k) atoms) at near-quantum accuracy, matching real experimental measurements for enzyme activity.
~1,000x faster than SOTA QM/MM.
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