MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

ABSTRACT: One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article

SUBMITTER: Vergara-Perez S 

PROVIDER: S-EPMC4767531 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature