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. Author manuscript; available in PMC: 2010 Jan 29.
Published in final edited form as: J Phys Chem B. 2009 Jan 29;113(4):1192–1201. doi: 10.1021/jp806906x

Figure 4.

Figure 4

a) Work vs. RC profiles for the SMD runs in the high pH state b) Free energy profiles for NO escape from NP4. Results for the high pH and low pH structures are depicted using black and red lines, respectively. In the high pH profile the data corresponds to mean ± SD of two independent 10 MSMD sets of calculations.