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In addition, the CO binding energy is shown to be an important parameter, as CO can crowd out the free sites which participate in adsorption steps, water dissociation, and carboxyl decomposition.
In addition to the mfe and the ensemble representation with their energies, the binding energy is shown.
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The surface atom concentration and the binding energy are shown in Table 3.
The time-course changes in subunit binding energies are shown in Fig. S7.
The Au 4f and Pt 4f binding energies are shown in Table 1, Figs. 4 and 5, respectively.
The best models of the bound substrates with the lowest binding energies are shown as yellow sticks, with all the other docking modes shown in lines.
The plot of computed and experimentally determined binding free energies is shown in Figure 3 and together with the residual differences between these values for each of the ligands is shown in Table 2.
It is shown that the binding energy is a function of the size of dots, impurity position and external fields strength.
The theoretical relative Gibbs free energies calculated for the binding of both series of agonists vs experimental relative Gibbs energies are shown in Tables 3 and 4.
Later, the binding site receptor was still held rigid while the ligands were allowed to flex during the refinement; the resulting binding energies along with specific van der Waals and electrostatic energies are shown in Table 1.
Our calculations show that the binding energy is higher in wild-type than in the N155S mutant, in accordance with the experimental results.
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