Structural Biology Software Database
Application IndexSort by [ Name | Last Update ]
| Category: Biomolecular Electrostatic (2 entries) | | Analysis tools for calculating electrostatic properties of biomolecules. |
| APBS (Adaptive Poisson-Boltzmann Solver) | 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. 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.
APBS was designed to efficiently evaluate electrostatic properties for such simulations for a wide range of
length scales to enable the investigation of molecules with tens to millions of atoms.
View Application Entry for APBS (Adaptive Poisson-Boltzmann Solver) |
| DelPhi | DelPhi is a program which uses finite difference method to solve the Poisson-Boltzmann equation for molecules of arbitrary shape and charge distribution. Delphi runs on UNIX operating systems (Solaris,Irix,Linux,HP-UX). Versions for Windows 96/98/NT are not yet available.
View Application Entry for DelPhi |
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