Figure 6.

(A) Predicted μ₂₃/RT values for folate associated with its MD simulation in water (○). The average of the μ₂₃/RT values is shown as a solid line. The dashed lines show one standard deviation from the average value. Ten representative folate conformers are superimposed on their pterin rings and are shown in panel B for more (green) and panel C for less (magenta) than one standard deviation corresponding to the filled circles in panel A. Oxygen and nitrogen atoms are colored red and blue, respectively.