X：AI at Meta (@AIatMeta)· @levine_ds·· 24 天前AI 评分
Meta AI 与芝加哥大学：以近量子精度模拟完整酶系统，比 SOTA QM/MM 快约 1000 倍
RT by @AIatMeta: 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.
Meta AI 与芝加哥大学 Andrew Ferguson 团队合作，实现了对含显式溶剂、约 10 万原子的完整酶系统的近量子精度模拟，结果与真实酶活性实验测量相符。该方法比当前 SOTA 的 QM/MM 快约 1000 倍。
来源：X：AI at Meta (@AIatMeta) · x.lingyaoai.com