FIG. 3.

Comparison of structural and dynamical properties of a biomolecular hydration shell and bulk water. (a) Water oxygen-oxygen radial distribution functions (solid lines) and coordination numbers (dashes) for a water molecule lying, respectively, in the first hydration shell of a DNA dodecamer²¹ (red) and in the bulk (blue). (b) Water second-order reorientation time-correlation functions for a water molecule initially lying in the bulk (blue) and in a DNA dodecamer's first (red) and second (green) hydration shells.²¹