Excluded volume contribution to the osmotic second virial coefficient for proteins

Excluded volume contribution to the osmotic second virial coefficient for proteins

A numerical approach was used to evaluate the excluded volume contribution more accurately by making use of crystallographic structural data for globular proteins. The numerical results were significantly larger than those obtained using the idealized shapes, with the main reason for the discrepancy...

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Veröffentlicht in:AIChE journal 1995-04, Vol.41 (4), p.1010-1014
Hauptverfasser: Neal, Brian L., Lenhoff, Abraham M.
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container_title AIChE journal
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creator Neal, Brian L.
Lenhoff, Abraham M.
description A numerical approach was used to evaluate the excluded volume contribution more accurately by making use of crystallographic structural data for globular proteins. The numerical results were significantly larger than those obtained using the idealized shapes, with the main reason for the discrepancy being the effective surface roughness rather than the overall molecular shape. A reasonable empirical approximation that emerges from the results is that the excluded volume is roughly 6.7 times the molecular volume, compared to 4 times the volume, which is the result for spheres. The use of the new computed value should lead to a good approximation of the excluded volume of proteins.
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title Excluded volume contribution to the osmotic second virial coefficient for proteins
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