Modeling of the electrostatic potential created by a spherical molecule
- 1 February 1994
- journal article
- research article
- Published by Taylor & Francis in Journal of Macromolecular Science, Part B
- Vol. 33 (1) , 21-35
- https://doi.org/10.1080/00222349408248077
Abstract
The method of Debye-Hückel 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.Keywords
This publication has 8 references indexed in Scilit:
- A model for electrostatic effects in proteinsJournal of Molecular Biology, 1987
- pH-Dependent Processes in ProteinCritical Reviews in Biochemistry, 1985
- Calculations of electrostatic interactions in biological systems and in solutionsQuarterly Reviews of Biophysics, 1984
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982
- Electrostatic stabilization in myoglobin. The pH dependence of summed electrostatic contributionsBiochemistry, 1979
- Interpretation of protein titration curves. Application to lysozymeBiochemistry, 1972
- Theory of Protein Titration Curves. I. General Equations for Impenetrable SpheresJournal of the American Chemical Society, 1957
- Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to ZwitterionsThe Journal of Chemical Physics, 1934