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Τρίτη 24 Ιουλίου 2018

GRPY - an accurate bead method for calculation of hydrodynamic properties of rigid biomacromolecules

Two main problems which arise in the context of hydrodynamic bead modeling are an inaccurate treatment of bead overlaps and the necessity of using volume corrections when calculating intrinsic viscosity. We present a novel formalism, based on generalized Rotne-Prager-Yamakawa approximation (GRPY) which successfully addresses both of these issues. The GRPY method is shown to be highly effective for the calculation of transport properties of rigid biomolecules represented as assemblies of spherical beads of different sizes, both overlapping and non-overlapping.

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