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. Author manuscript; available in PMC: 2011 Oct 7.
Published in final edited form as: J Phys Chem B. 2010 Oct 7;114(39):12501–12507. doi: 10.1021/jp105549s

Figure 5.

Figure 5

Aligned overlays of the coordinate sets used for the hydrodynamics calculations for maltose (top) and trehalose (bottom) which best matched the experiment D values. Hydroxyl O atoms are red, ring O5 atoms are orange, anomeric O atoms are yellow, and most water O atoms are transparent blue. For trehalose, the additional water molecules present due to the slightly more permissive value of Ecut are shown in bright blue (cyan). The sugars are oriented on the xy plane; waters with z > 0 (i.e., in front of the sugar) are omitted for clarity.