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. Author manuscript; available in PMC: 2016 Jul 22.
Published in final edited form as: Angew Chem Int Ed Engl. 2016 May 31;55(30):8661–8665. doi: 10.1002/anie.201603766

Scheme 1.

Scheme 1

The dihydrofuroaporphine epimers used as 5-HT1A ligands in the MD simulations. The configuration of the methyl group in the two epimers is highlighted in red.