Figure 3.

Microsecond pyranose puckering in stacked monosaccharides from Lewis antennae. (A) Gal and (B) Fuc. One dimensional puckering free energy surfaces are derived from 10 μs simulations of 1–3 (25 μs for 2). For chain-linked rings, linkage positions are indicated and unlinked monosaccharides labeled as free (data from Sattelle & Almond, 2012).¹⁶ Chair (C), envelope or half-chair (E/HC) and boat or skew-boat (B/SB) conformational regions are noted. Errors are calculated to be ±0.01, ±0.2 and ±0.6 kcal mol⁻¹ at ΔG values of 5, 7 and >9 kcal mol⁻¹, respectively (see Supplementary data).