Article
Electrostatic interactions in protein solution--a comparison between Poisson-Boltzmann and Monte Carlo calculations.
Biopolymers - 1 Sept 1991
Fushiki M, Svensson B, Jönsson B, Woodward C E
Abstract excerpt
The accuracy of the Poisson-Boltzmann (PB) approximation and its linearized version is investigated by comparison to results obtained from Monte Carlo simulations. The dependence of the calcium binding constant of the protein calbindin as a function of salt concentration and mutation is used as a test case. The protein is modeled as a collection of charged and neutral spheres immersed in the electrolyte solution....
Topics
- Anions
- Binding Sites
- Calbindins
- Calcium
- Cations
- Mathematical Computing
- Models, Chemical
- Monte Carlo Method
- Mutation
- Poisson Distribution
- Protein Conformation