Paquet : apbs (1.4-1build1)
Liens pour apbs
Ressources Trisquel :
Télécharger le paquet source apbs :
Responsable :
Original Maintainers:
- Debichem Team (Archive du courrier électronique)
- Michael Banck
Ressources externes :
- Page d'accueil [apbs.sourceforge.net]
Paquets similaires :
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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Télécharger apbs
Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
---|---|---|---|
amd64 | 213,1 ko | 627 ko | [liste des fichiers] |
i386 | 207,9 ko | 655 ko | [liste des fichiers] |