Secondary metabolites are often among the major players in plants' function, stability,
support, bioactivities, defense mechanisms, and therapeutic applications. One of the major …

In aromatic plants species, biosynthesis of essential oils occurs through two complex natural
biochemical pathways involving different enzymatic reactions. Isopentenyl diphosphate …

The existence of post-transition state bifurcations on potential energy surfaces for organic
and biological reaction mechanisms has been known for decades, but recently, new reports …

Importance of Inherent Substrate Reactivity in Enzyme‐Promoted Carbocation Cyclization/Rearrangements
- Tantillo - 2017 - Angewandte Chemie International Edition - Wiley Online Library Skip to …

Background Aviation fuels are an important target of biofuels research due to their high
market demand and competitive price. Isoprenoids have been demonstrated as good …

In this opinion, we review some recent work on terpene biosynthesis using multiscale
simulation approaches, with special focus on contributions from our group. Terpene …

Quantum chemical calculations on the transformation of the bisabolyl cation into an array of
sesquiterpenes (iso-γ-bisabolene, trichodiene, cuprenene, laurene, isochamigrene …

Biosynthetic production of cyclobutanes leads to many complex natural products. Recently,
theoretical work employing quantum chemical calculations has shed light on many of the …

The cyclization mechanisms involved in the biosynthesis of sesterterpenes are not fully
understood. For example, there are two plausible reaction pathways for sesterfisherol …

Polyquinane sesquiterpenoids (PQSTs) are complex compounds with two or three fused
cabocyclopentane ring systems, and the biocatalysts for direct C–H bond oxidation on these …