In cavities with much less structure, such as in CYP 3A4, the resolved peaks are less in number and wider. This is also true when the molecule has more rotatable bonds and is more flexible. In these cases it appears that the density of states is more Gaussian like. There would be an expansion in the exponent about the exp(-||) form primarily used in this work analogous to eqn 10. There is no exact relation between binding energy and score, however.