Stochastic modeling of macromolecules in solution. II. Spectral densities
Abstract
In a companion paper 1 we have proposed a general approach for interpreting relaxation properties of a macromolecule in solution, derived from an atomistic description. A simple model (the semi-flexible Brownian, SFB, approach) has been defined, for the case of limited internal flexibility, but retaining full coupling with external degrees of freedom, inclusion of all of the momenta, and dissipation. Here we discuss the application of the SFB model to the practical evaluation of orientation spectral densities, based on two complementary computational treatments.
Origin : Files produced by the author(s)
Loading...