Description
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media.
APBS's goal is to efficiently evaluate electrostatic properties for such simulations at a wide range of length scales in order to make possible the investigation of molecules with tens to millions of atoms.
Continuum electrostatics plays an important role in several areas of biomolecular simulation, including:
- simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics,
- implicit solvent molecular dynamics of biomolecules,
- solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design,
- and biomolecular titration studies.
NOTE: APBS is licensed and distributed under the terms of the BSD License and MIT License.
User Reviews for APBS FOR MAC 1
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for APBS FOR MAC
APBS FOR MAC is an essential tool for studying electrostatic interactions in biomolecular simulations. Efficiently evaluates properties at various length scales.