Electrostatic interactions in protein solution--a comparison between Poisson-Boltzmann and Monte Carlo calculations.

Abstract

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… (More)

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