MODELING OF THE ELECTROSTATIC POTENTIAL CREATED BY A SPHERICAL MOLECULE

The method of Debye-Huckel is extended so as to be applicable for the purposes of evaluating the electrostatic field caused by charged groups, dipoles, and multipoles, in globular molecules. Charged groups and dipoles may be situated arbitrarily in the protein molecule. The problem is solved using the spherical coordinate system. General expressions for the potential are given. In the case of a protein molecule having a strong dipole moment, the general problem is approximately solved presuming that the potential is caused by an effective dipole moment. The numerical simulation of electrostatic interaction between two molecules with strong dipoles is provided.