Fig. 5: Computed lowest energy conformation of pseudo-hexamer 13. | Communications Chemistry

Fig. 5: Computed lowest energy conformation of pseudo-hexamer 13.

From: A spirocyclic backbone accesses new conformational space in an extended, dipole-stabilized foldamer

Fig. 5: Computed lowest energy conformation of pseudo-hexamer 13.The alternative text for this image may have been generated using AI.

Side-chains are truncated to CH3. Semi-empirical: PM7 (MOPAC2016)75,76,77. Pair-fitting of spirocycle substituents within monomers n and n + 4 with phosphate oxygen atoms on surface of B-DNA (PDB 3BSE). For full details see Supplementary Discussion section 2.3.

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