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. Author manuscript; available in PMC: 2014 Feb 25.
Published in final edited form as: J Chem Inf Model. 2013 Jan 31;53(2):452–460. doi: 10.1021/ci300506y

Figure 4.

Figure 4

a) Magnesium cluster distances from the nor-NOHA simulation, Mg+2 ions A and B are shown as green spheres and the oxygen of the hydroxide is shown as a red sphere. b) Interference of water molecule in altering His 101 coordination. c) Coordination angle measure of N-O-Mg atoms. d) Distance between metal ions and metal bridging oxygen