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. Author manuscript; available in PMC: 2018 Jan 22.
Published in final edited form as: J Chem Inf Model. 2016 Nov 18;56(12):2388–2400. doi: 10.1021/acs.jcim.6b00362

Table 2.

Statistics for FEP+ Results of T4 Lysozyme L99A Data Set

protein
structure		 R2 slope MUE
(kcal/mol)		 RMSE
(kcal/mol)		 PI
181l 0.85 1.30 0.71 0.86 0.86
184l 0.78 1.47 0.96 1.21 0.81
2oty 0.78 1.23 0.73 0.89 0.82