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. Author manuscript; available in PMC: 2012 Apr 19.
Published in final edited form as: Chem Rev. 2009 Sep;109(9):4092–4107. doi: 10.1021/cr800551w

Figure 2.

Figure 2

(A) Diagram of a receptor-ligand potential of mean force W(r, ω), shown as an energy surface in two dimensions with the bound state defined by the deep energy well. The boundary of the bound state can be specified by an upper bound, indicated by a green ring, of W(r, ω) so long as the well is only big enough to hold a single ligand at a time.91 (B) Sketch of the binding constant associated with the energy well in (A) as a function of the upper bound of W(r, ω). The binding constant is seen to be virtually independent of the upper bound so long as the lowest energy configurations are included.