Improved continuum electrostatic modelling in proteins, with comparison to experiment.

Abstract

Electrostatic interactions in macromolecules can be calculated with the method of finite differences applied to a continuum model. The accuracy of dielectric and counterion continuum modelling has been tested for long-range interactions by comparison with available experimental data over a range of ionic strengths. Various model parameters have been… (More)

Topics

  • Presentations referencing similar topics