Binding density

The binding density is the concentration of bound enzyme over the concentration of binding sites. The binding constant Kb is related to the affinity between the enzyme and the matrix, the greater Kb the higher the affinity. Figure 15.8 displays the Scatchard plot of Mb adsorbed on (A) a-ZrP and (B) magadiite, from Refs. [86] and [133], respectively. 

In the human and monkey brain, the highest D2 receptor binding density is found in the NAc, olfactory tubercle, caudate nucleus and putamen as well as SNc lower density is present in the GPe, whereas very low density is present in olfactory bulb, GPi, amygdala and cerebellum (Richfield et al., 1987 Camps et al., 1989 Levey et al., 1993). 

Charlier, J.C., Michenaud, J.P., and Lambin, P. (1992). Tight-binding density of electronic states of pregraphitic carbon. Phys. Rev. B, 46, 4540-3. 

Although ab initio molecular orbital theory and density functional theory can be used to systematically improve the accuracy of X-Pol results for large systems, it is still impractical to use these methods to perform molecular dynamics simulations for an extended period of time. With increased computing power, this will become feasible in the future however, at present, it is desirable to use semiempirical molecular orbital models such as the popular approaches based on neglect of diatomic differential overlap (NDDO) or the more recent self-consistent-charge tight-binding density functional (SCC-method to model condensed-phase and biomacromolecules. 

K is the binding affinity, n is the binding site size (in nucleotide bases), and v is the binding density given by... 

In order to overcome these problems, approximate methods constructed explicitly for certain classes of systems may be very usefiil. In this section we shall explicitly study two such methods, i.e. a tight-binding density-functional method and the embedded-atom method. 

Having established that tight-binding density-funetional methods are accurate... 

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