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Figure 5
The improvement arising from the AMOEBA–IAS scattering model, relative to the IAM model, is plotted as a function of relative percentage improvement in Rfree value and the relative AMOEBA potential energy per residue. For all data sets, the best Rfree value and lowest potential energy per residue were achieved using the AMOEBA–IAS scattering model. 1 kcal mol−1 = 4.186 kJ mol−1.

Journal logoBIOLOGICAL
ISSN: 1399-0047
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