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.
- 7761829
- acids,
- biochemistry,
- chemical,
- chemistry,
- electricity,
- electrochemistry,
- gov't,
- models,
- molecular
- non-p.h.s.,
- non-u.s.
- nucleic
- p.h.s.,
- physical,
- proteins,
- research
- structure,
- support,
- theoretical,
- thermodynamics,
- u.s.
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