Subject: Re: CCL:Diameter of a globular peptide

From: [email-masked] (Per-Ola Norrby)
Date: Fri, 24 Nov 1995 10:41:48 +0100

S. Shapiro wrote

>     I was recently asked what would be the approximate theoretical diameters
>of globular peptides of molecuar weight 3,000 and 10,000.  If anyone knows
>how to calculate this, I would be grateful if you would share with me the
>method of calculation.
>
        Depends on how accurate you want to be.  Assuming a perfect sphere
with the density of water, molecular weight 10,000 corresponds to a
diameter of approx. 32 A.  If you want something more accurate, I'd say a
simple empirical method would be to correlate the Mw of some known
structures with r^3.

        Of course, you could spend a couple of thousand CPU hours on
molecular dynamics runs and average....

        Per-Ola Norrby

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