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. Author manuscript; available in PMC: 2015 Jul 3.
Published in final edited form as: Mol Biosyst. 2014 Apr 29;10(7):1890–1904. doi: 10.1039/c3mb70620f

Figure 10.

Figure 10

Cumulative free energy changes upon L834R mutation (Kcal/mol) calculated for bound and unbound Y1068 peptide substrates in both forward and backward directions in the free energy perturbation simulations.