MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

Published: 1 January 2016| Version 1 | DOI: 10.17632/rpm3xv2myn.1
Sandra Vergara-Perez, Marcelo Marucho


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, de... Title of program: MPBEC Catalogue Id: AEXW_v1_0 Nature of problem Numerical solution of the linearized PB equation. Versions of this program held in the CPC repository in Mendeley Data AEXW_v1_0; MPBEC; 10.1016/j.cpc.2015.08.029 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Molecular Biology, Biological Sciences, Computational Physics, Electromagnetics, Electrostatics