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Re: WSN: the solvent accessibility to proteins (fwd)
Sender: KAHN@mbcl.rutgers.edu
Subject: Re: WSN: the solvent accessibility to proteins
The classic paper in this field is by B.K. Lee & F.M. Richards,
J. Mol. Biol. 55: 379-400 (1971). See also Richards's review in
Annu. Rev. Biophys. Bioeng. 6: 151-176 (1977)
The program ACCESS, which performs accessible surface area calculations,
is readily available from Dr. Richards at Yale. I do not havre his email
address here but could get it if necessary.
Also appearing in 1971 was an independent paper on accessibility by Shrake &
Rupley. It, too, is a classic and shares with the Lee & Richards paper the
origination of these calculations. I haven't the exact reference handy but
could get it, too, if needed. Conolly has written programs for accessibility
calculations which have some features not present in the Richards program.
There is a substantial literature in which accessibilities of protein
surfaces have been used to interpret various thermodynamic properties. If you
let me know what it is you are interested in doing, I could suggest a few
to serve as an introduction to the area.
Peter Kahn