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[ Paquet source : apbs  ]

Paquet : apbs (1.2.1b-1) [universe]

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Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.

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It should generally not be necessary for users to contact the original maintainer.

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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.

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Architecture Taille du paquet Espace occupé une fois installé Fichiers
amd64 329,6 ko904,0 ko [liste des fichiers]
i386 282,4 ko752,0 ko [liste des fichiers]