Jul 2026
Unraveling the Catalytic Promiscuity Mechanism of Triterpene Synthase AaOSC-22030 via Multiscale QM/MM Simulations and Mutagenesis.
It is revealed that cyclization and quenching are governed by distinct active site residues, providing a rational strategy for the functional reshaping of triterpene synthases with customized product profiles.
Chen-Xu Liu, Shun Liang, Jia-Qi Jiao et al.
· Journal of Physical Chemistr... · 0 citations