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

Harding, SE; Horton, JC; Jones, S; Thornton, JM; Winzor, DJ; (1999) COVOL: an interactive program for evaluating second virial coefficients from the triaxial shape or dimensions of rigid macromolecules. Biophysical Journal , 76 (5) 2432 - 2438.

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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-Huckel 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

Type:Article
Title:COVOL: an interactive program for evaluating second virial coefficients from the triaxial shape or dimensions of rigid macromolecules
Additional information:UI - 99249847 LA - Eng RN - EC 3.1.27.5 (Ribonuclease, Pancreatic) RN - 0 (Electrolytes) RN - 0 (Hemoglobins) RN - 0 (Macromolecular Systems) RN - 0 (Proteins) RN - 9006-59-1 (Ovalbumin) PT - JOURNAL ARTICLE DA - 19990621 IS - 0006-3495 SB -M CY - UNITED STATES JC - A5S AA - Author EM - 199908
Keywords:ANS, Hemoglobins, Macromolecular Systems, Proteins, United States, Animal, Biophysics, chemistry, Electrolytes, Models, Molecular, Ovalbumin, Ribonuclease, Pancreatic, Software, Software Design, Solutions, Support, Non-U.S.Gov't, Thermodynamics, expression, distribution
UCL classification:UCL > School of Life and Medical Sciences > Faculty of Life Sciences > Biosciences (Division of)

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