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Re: WSN: free energies calculstions (fwd)
Sender: KAHN@mbcl.rutgers.edu
Subject: Re: WSN: free energies calculstions
The classic paper on free energies of amino acid transfer between water
and nonaqueous solution is by Nozaki & Tanford, J. Biol. Chem. 246: 2211-
2217 (1971). The free energies of transfer were shown to be linear in the
solvent accessible surface area by Chothia, Nature 248: 338-339, 1974.
The linearity with surface area of transfer free energies was shown for
many compounds earlier by Heremans. See the review by F. M. Richards
in Annual Review of Biophysics & Bioengineering, vol. 6, 1977. I believe the
page to be 151, but of that I'm not sure.
These should give you a start that's relatively digestible. There has been
quite a bit of work since, and there are some controversies. What do you
plan to do with all this?
Peter Kahn