Brownian dynamics simulation of analytical ultracentrifugation experiments.

ABSTRACT:

Background

We have devised a protocol for the Brownian dynamics simulation of an analytical ultracentrifugation experiment that allows for an accurate and efficient prediction of the time-dependent concentration profiles, c(r, t) in the ultracentrifuge cell. The procedure accounts for the back-diffusion, described as a Brownian motion that superimposes to the centrifugal drift, and considers the sector-shaped geometry of the cell and the boundaries imposed by the meniscus and bottom.

Results

Simulations are carried out for four molecules covering a wide range of the ratio of sedimentation and diffusion coefficients. The evaluation is done by extracting the molecular parameters that were initially employed in the simulation by analyzing the profiles with an independent tool,

SUBMITTER: Diez A 

PROVIDER: S-EPMC3098213 | biostudies-literature | 2011 Mar

REPOSITORIES: biostudies-literature