Classical Electrostatics in Biology and Chemistry
- 26 May 1995
- journal article
- review article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 268 (5214) , 1144-1149
- https://doi.org/10.1126/science.7761829
Abstract
A major revival in the use of classical electrostatics as an approach to the study of charged and polar molecules in aqueous solution has been made possible through the development of fast numerical and computational methods to solve the Poisson-Boltzmann equation for solute molecules that have complex shapes and charge distributions. Graphical visualization of the calculated electrostatic potentials generated by proteins and nucleic acids has revealed insights into the role of electrostatic interactions in a wide range of biological phenomena. Classical electrostatics has also proved to be successful quantitative tool yielding accurate descriptions of electrical potentials, diffusion limited processes, pH-dependent properties of proteins, ionic strength-dependent phenomena, and the solvation free energies of organic molecules.Keywords
This publication has 105 references indexed in Scilit:
- Salt Effects on Ligand-DNA Binding: Minor Groove Binding AntibioticsJournal of Molecular Biology, 1994
- Structural Origins of pH and Ionic Strength Effects on Protein StabilityJournal of Molecular Biology, 1994
- Analysis of the heat capacity dependence of protein foldingJournal of Molecular Biology, 1992
- Electrostatic contributions to solvation energies: comparison of free energy perturbation and continuum calculationsJournal of the American Chemical Society, 1991
- A simple method for the calculation of hydration enthalpies of polar molecules with arbitrary shapesThe Journal of Physical Chemistry, 1987
- Continuum dielectric modelling of the protein-solvent system, and calculation of the long-range electrostatic field of the enzyme phosphoglycerate mutaseJournal of Theoretical Biology, 1986
- Tailoring the pH dependence of enzyme catalysis using protein engineeringNature, 1985
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982
- Electric Moments of Molecules in LiquidsJournal of the American Chemical Society, 1936
- Volumen und Hydratationswärme der IonenThe European Physical Journal A, 1920