Calculation of hydrodynamic properties of macromolecular bead models with overlapping spheres.
Eur Biophys J
; 28(6): 510-5, 1999.
Article
en En
| MEDLINE
| ID: mdl-10460344
For the calculation of hydrodynamic properties of rigid macromolecules using bead modelling, models with overlapping beads of different sizes are used in some applications. The hydrodynamic interaction tensor between unequal overlapping beads is unknown, and an oversimplified treatment with the Oseen tensor may introduce important errors. Here we discuss some aspects of the overlapping problem, and explore an ad hoc form of the interaction tensor, proposed by Zipper and Durchschlag. We carry out a systematic numerical study of the hydrodynamic properties of a two-spheres model, showing how the Zipper-Durchschlag correction removes efficiently the numerical instabilities, and predicts the correct limits.
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Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Simulación por Computador
/
Modelos Moleculares
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Eur Biophys J
Asunto de la revista:
BIOFISICA
Año:
1999
Tipo del documento:
Article
País de afiliación:
España
Pais de publicación:
Alemania