title: Computational studies on the cyclization of squalene to the steroids and hopenes.
abstract: A review of computational studies of the related biosyntheses of steroids and hopenes reported during the last two decades is presented. Computations in the gas phase and those that include the enzyme are covered. Based on the numerical results conclusions have been drawn about the biosynthetic mechansims of these all important biological reactions.
authors.affiliation: Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA. b.andes.hess@vanderbilt.edu.
authors.forename: B Andes
authors.identifier: http://orcid.org/0000-0002-9854-6217
authors.initials: BA
authors.lastname: Hess
mesh_terms: D003500:Cyclization; D015394:Molecular Structure; D013185:Squalene / Q000737:chemistry*; D013256:Steroids / Q000138:chemical synthesis* / Q000737:chemistry; D014315:Triterpenes / Q000138:chemical synthesis* / Q000737:chemistry
chemical_list: D013256:Steroids; D014315:Triterpenes; C028765:diploptene; D013185:Squalene