Optimization of electrostatic binding free energy

An analytic result is derived that defines the charge distribution of the tightest-binding ligand given a receptor charge distribution and spherical geometries. Using the framework of continuum electrostatics, the optimal distribution is expressed as a set of multipoles determined by minimizing the electrostatic free energy of binding. Results for two simple receptor systems are presented to illustrate applications of the theory. (C) 1997 American Institute of Physics.