Skip to main content
. Author manuscript; available in PMC: 2012 Oct 8.
Published in final edited form as: J Phys Chem B. 2007 Nov 3;111(47):13419–13435. doi: 10.1021/jp074285e

Figure 11.

Figure 11

Effect of ligand orientational freedom (multiple binding modes): (a) Free energy paraboloids for multiple binding orientations of a hypothetical ligand to a set of identically-shaped receptors in an unbounded charge space. The thick, solid trace represents the zero temperature limit of the binding energy of the ligand to receptors bearing the corresponding charge distrbutions. This ligand is able to achieve increased promiscuity by binding to members of the receptor panel in two distinct modes. (b) Plot of promiscuity against ligand hydrophilicity for model ligands allowed to bind in shape-invariant orientations to a set of identically-shaped receptors in an unbounded charge space.