[RASMB] Is there a facile method to get Vbar for small molecules without using densitometry?

[Arthur Rowe]

Dear John

I guess that the most widely used software for this purpose is SEDNTERP. It is now cross-platform, and there is a web version:

http://www.spinanalytical.com/auc-software.php

Only snag is that the current versions call for rather unusual data file formats

KInd regards

Arthur

Professor Arthur J Rowe
NCMH/Food Sciences
University of Nottingham
Sutton Bonington
Leics LE12 5RD UK

Tel: +44 115 9516156
arthur.rowe at nottingham.ac.uk


On 17 Oct 2012, at 22:21, john_doran at vrtx.com wrote:

> Greetings fellow Rasmb members
> 
> The issue has arisen on more than one occasion for us to look at the association state of small molecules ( i.e molecules under 1000 MW) using the AUC. When there is plenty of material it is easy enough to directly measure Vbar using densitometry, but of course there are also occasions where the material is precious and there is not nearly enough for densitometry. Does anyone know of any alternative physical methods or getting Vbar values generated from theory that may be used in lieu of densitometry? 
> 
> Thank you in advance for any replies that are sent to address this problem!
> 
> 
> John D Doran, Ph.D.
> Protein Biochemistry
> Vertex Pharmaceuticals Inc.
> 130 Waverly Street
> Cambridge, MA 02139
> 617-444-6142
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> RASMB at rasmb.bbri.org
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