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. 2016 Apr 27;37(17):1589–1600. doi: 10.1002/jcc.24375

Figure 6.

Figure 6

Comparison of the MM and SQM/MM (ssEAc) results for NOA, compared to the experimental relative affinities44 for the eight considered transformations. The black line shows the perfect correlation. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]