COVOL: an interactive program for evaluating second virial coefficients from the triaxial shape or dimensions of rigid macromolecules.

Abstract:

:An interactive program is described for calculating the second virial coefficient contribution to the thermodynamic nonideality of solutions of rigid macromolecules based on their triaxial dimensions. The FORTRAN-77 program, available in precompiled form for the PC, is based on theory for the covolume of triaxial ellipsoid particles [Rallison, J. M., and S.E Harding. (1985). J. Colloid Interface Sci. 103:284-289]. This covolume has the potential to provide a magnitude for the second virial coefficient of macromolecules bearing no net charge. Allowance for a charge-charge contribution is made via an expression based on Debye-Hückel theory and uniform distribution of the net charge over the surface of a sphere with dimensions governed by the Stokes radius of the macromolecule. Ovalbumin, ribonuclease A, and hemoglobin are used as model systems to illustrate application of the COVOL routine.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Harding SE,Horton JC,Jones S,Thornton JM,Winzor DJ

doi

10.1016/S0006-3495(99)77398-4

subject

Has Abstract

pub_date

1999-05-01 00:00:00

pages

2432-8

issue

5

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(99)77398-4

journal_volume

76

pub_type

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