Molecular recognition using motion of molecules under Coulomb's Law

The molecular recognition problem (or the docking problem) can be formulated as follows: given two rigid molecules, find their relative orientation with the maximum number of "contacts" or "peak" interaction energy. For this purpose, we propose (1) removal of internal atoms, (2) special distribution of "charges" among retained atoms, (3) motion of the molecules (without internal atoms) as rigid bodies under a special Coulomb's Law. This approach is different from previous methods [see 1-4 and the references therein].