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. 2003 Jun;84(6):3564–3582. doi: 10.1016/S0006-3495(03)75089-9

FIGURE 4.

FIGURE 4

Selected hydration patterns (stereo) seen in EbacMg simulation. Note that intramolecular water geometries appear deformed due to some period of time-averaging. (a) Water-mediated cis Watson-Crick basepair from average MD structure: right, residue G75; left, residue A101. (b) Water-mediated cis bifurcated basepair from average MD structure: right, residue G76; left, residue G100. (c) Typical hydration event in the five-center G102(O6) hydration pocket (see the text). Two water molecules (each with a residency time of 4 ns) are bound to G102(O6) while establishing additional contacts to U103(O4) and C5(U74). The third water molecule on the bottom of the picture is not bound to G102(O6) but nevertheless oscillates in the region (contacting other groups) for 1 ns.