Linux temps réel embarqué et outils de développements Technique


apbs Adaptive Poisson Boltzmann Solver
Installed size 2556
Maintainer Michael Banck <mbanck@debian.org>
Architecture i386
Version 0.4.0-2
Depends atlas3-base | refblas3 | libblas.so.3, libc6 (>= 2.3.6-6), libg2c0 (>= 1
Suggests apache-doc
File name pool/main/a/apbs/apbs_0.4.0-2_i386.deb
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. 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.

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