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Rotational friction on globular proteins combining dielectric and hydrodynamic effects

Mukherjee, Arnab and Bagchi, Biman (2005) Rotational friction on globular proteins combining dielectric and hydrodynamic effects. In: Chemical Physics Letters, 404 (4-6). pp. 409-413.

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Rotational friction on proteins and macromolecules is known to derive contributions from at least two distinct sources– hydrodynamic (due to viscosity) and dielectric friction (due to polar interactions). In the existing theoretical approaches, the effect of the latter is taken into account by increasing the size of the protein with the addition of a hydration layer. Here, we calculate the rotational dielectric friction on a protein $(\zeta DF)$ by using a generalized arbitrary charge distribution model (where the charges are obtained from quantum chemical calculation) and the hydrodynamic friction with stick boundary condition, by using the sophisticated theoretical technique known as tri-axial ellipsoidal method $(\zeta TR)$. The calculation of hydrodynamic friction is done with only the dry volume of the protein (no hydration layer). We find that the total friction thus obtained by summing up $\zeta DF$ and $\zeta TR$, gives reasonable agreement with the experimental results, i.e., $\zeta_e_x_p \approx \zeta_D_F + \zeta_T_R_$.

Item Type: Journal Article
Publication: Chemical Physics Letters
Publisher: Elsevier
Additional Information: Copyright of this article belongs to Elsevier.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 11 Jun 2007
Last Modified: 19 Sep 2010 04:38
URI: http://eprints.iisc.ac.in/id/eprint/11173

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