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Updated: Jun 22, 2025

A Customizable Approach for the Enzymatic Production and Purification of Diterpenoid Natural Products
Published on: October 4, 2019
Docking carbocations into terpene synthase active sites using chemically meaningful constraints-The TerDockin
Ian S Torrence1, Terrence E O'Brien2, Justin B Siegel3
1Department of Chemistry, University of California Davis, Davis, CA, United States.
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.
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