linkages of sLe a and sLe x . Free energy surfaces for the glycosidic linkages were generated using and the expression ∆𝐴 = -𝑘 𝐵 𝑇𝑙𝑛(𝜌 𝑥 𝜌 𝑚𝑎𝑥 ⁄ ), where 𝜌 𝑥 is the bin density, 𝜌 𝑚𝑎𝑥 is the highest occupied bin density, 𝑘 𝐵 is the Boltzmann constant and T the temperature. Bin densities 𝜌 𝑥 were recovered from biased estimates 𝜌 𝑥 ′ via msesMD simulations using the approach of Torrie and