Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.

ABSTRACT:

Background

The Poisson-Boltzmann (PB) equation and its linear approximation have been widely used to describe biomolecular electrostatics. Generalized Born (GB) models offer a convenient computational approximation for the more fundamental approach based on the Poisson-Boltzmann equation, and allows estimation of pairwise contributions to electrostatic effects in the molecular context.

Results

We have implemented in a single program most common analyses of the electrostatic properties of proteins. The program first computes generalized Born radii, via a surface integral and then it uses generalized Born radii (using a finite radius test particle) to perform electrostaic analyses. In particular the ouput of the program entails, depending on user's requirement: 1) the generali

SUBMITTER: Fogolari F 

PROVIDER: S-EPMC3434445 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature