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.
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.