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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Lixin Duan

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3 papers indexed here

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Sep 2026

Mechanism-Driven Enzyme Reshaping: A Catalytic Switch Dictates Product Specificity in Sesquiterpene Synthases

Sesquiterpene synthases generate diverse terpenoid skeletons through carbocation-driven cyclization cascades. Here, we performed a comparative mechanistic study of Artemisia argyisesquiterpene synthase (AaCPS) and Zingiber zerumbet synthase 1 (ZSS1), which exhibit reversed major-product profiles. GC–MS analysis showe...

Bing Li, Gui-Li Zhang, Yi-Dan Jian et al. · 0 citations
Sep 2026

Modeling the Impact of Active Site Mutations on the Quenching Fate and Cyclization Depth of a Rare Oxidosqualene Cyclase

Oxidosqualene cyclases (OSCs) convert linear 2,3-oxidosqualene into diverse polycyclic triterpenoids. The precise control over highly reactive carbocation intermediates, particularly the ultimate quenching mechanism (deprotonation vs hydroxylation), remains a fundamental challenge in mechanism-driven enzyme reshaping...

Chen-Xu Liu, Shun Liang, Ying Zheng et al. · 0 citations
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. · 0 citations

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