Oct 2026
Enzymatic oxidative esterification with an unconventional regioselective control.
X. Qiu, Kangdelong Hu, Jun Yang et al.
· Nature Chemistry · 0 citations
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A scalable physics-based framework that combines field-aware machine learning with molecular mechanics to capture enzyme electrostatics at quantum-mechanical accuracy while enabling efficient, atomistic exploration of reaction free-energy landscapes is presented.
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