A theoretical reappraisal of the cyclol hypothesis

Ibon Alkorta, Goar Sánchez-Sanz, Cristina Trujillo*, Luis Miguel Azofra, José Elguero

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Theoretical calculations at the B3LYP/6-31G(d) level have been carried out on the isomerization of cyclictri-glycine into the corresponding tri-cyclol. The results confirmed that the cyclol hypothesis was untenable both from a thermodynamic as well as from a kinetic point of view.

Original languageEnglish
Pages (from-to)873-877
Number of pages5
JournalStructural Chemistry
Volume23
Issue number3
DOIs
Publication statusPublished - Jun 2012

Keywords

  • B3LYP/6-31G(d)
  • Cyclol
  • Energy profile
  • Green fluorescent protein
  • Peptides

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