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. Author manuscript; available in PMC: 2023 Jun 14.
Published in final edited form as: Nat Chem Biol. 2022 May 23;18(6):659–663. doi: 10.1038/s41589-022-01027-1

Extended Data Fig. 6. Proposed cyclization cascade for EcTPS1.

Extended Data Fig. 6

A) Proposed cyclization cascade starting from GGPP to form [2H2]-klysimplexin R (4). B) Relative free energies of intermediates and transition state structures in kcal mol−1, calculated with mPW1PW91/6–311 + G(d,p) in a water CPCM model.