{Reference Type}: Journal Article
{Title}: Docking carbocations into terpene synthase active sites using chemically meaningful constraints-The TerDockin approach.
{Author}: Torrence IS;O'Brien TE;Siegel JB;Tantillo DJ;
{Journal}: Methods Enzymol
{Volume}: 699
{Issue}: 0
{Year}: 2024
{Factor}: 1.682
{DOI}: 10.1016/bs.mie.2024.02.006
{Abstract}: Terpenes are a diverse class of natural products which have long been sought after for their chemical properties as medicine, perfumes, and for food flavoring. Computational docking studies of terpene mechanisms have been a challenge due to the lack of strong directing groups which many docking programs rely on. In this chapter, we dive into our computational method Terdockin (Terpene-Docking) as a successful methodology in modeling terpene synthase mechanisms. This method could also be used as inspiration for any multi-ligand docking project.