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[ Источник: apbs  ]

Пакет: apbs (1.2.1b-1) [universe]

Ссылки для apbs

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Ресурсы Ubuntu:

Исходный код apbs:

Сопровождающий:

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

Original Maintainers (usually from Debian):

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

Внешние ресурсы:

Подобные пакеты:

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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Архитектура Размер пакета В установленном виде Файлы
amd64 329,6 Кб904,0 Кб [список файлов]
i386 282,4 Кб752,0 Кб [список файлов]