Re: WSN: free energies calculstions (fwd)

• To: Water Science Network <water@gibbs.oit.unc.edu>
• Subject: Re: WSN: free energies calculstions (fwd)
• From: Water Science Network Administrator <wsn-adm@mmlds1.pha.unc.edu>
• Date: Thu, 24 Nov 1994 22:38:03 -0500 (EST)

Sender: jw@newt.phys.unsw.edu.au (Joe Wolfe)
Subject: Re: WSN: free energies calculstions

>         I would like some references which calculate or measure the free
> energy change (DG) in transfering an alanine or glycine from water to a
> nonpolar solvent and the free energy change for the transfer of a valine
> from the same nonpolar solvent to water, all this to have an idea (quite
> approximated) about the ratio between the DG of a hydrogen bond and the
> DG of a hidrophobic interaction.

-Dear Rafael

I am a physicist and not a chemist so this response may be
naive. I would expect that alanine or glycine have finite and measurable
solubilities in water and also in the other solvent, though perhaps the
latter may be small. As I understand the problem, those two data are
all that you need to caluclate the free energy difference.

Joe Wolfe, Physics, UNSW, Sydney 2052 Australia

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