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Solvation (fwd)

Sender: stoutepf@lldmpc.dnet.dupont.com (Pieter Stouten)
Subject: WSN: Solvation

Last week at the DVM meeting hosted by Rhone Poulenc Rorer, I promised to
provide references to recent papers that deal partially or completely with
solvation, specifically the ones from van Gunsteren and Vasquez. Here they
are (sorry, George, that it took me so long). The Ben-Naim one, although
somewhat older is very interesting as he claims that 1) solvation free
energies scale as the solute VOLUME, not the SURFACE, and 2) no correction
for entropy of mixing (such as Sharp's) is required when deriving solvation
parameters. BTW, if anybody wants a copy of my EndNote file with
solvation-related references (Macintosh format), just drop me a line.

Cheers, Pieter.


%0 Journal Article
%A Callaway, D. J. E.
%D 1994
%T Solvent-Induced Organization - a Physical Model Of Folding Myoglobin
%J Proteins: Structure, Function And Genetics
%V 20
%N 2
%P 124-138
%O ISSN: 0887-3585

%0 Journal Article
%A Smith, P. E.
%A Pettitt, B. M.
%D 1994
%T Modeling Solvent In Biomolecular Systems
%J Journal Of Physical Chemistry
%V 98
%N 39
%P 9700-9711
%O 29 SEP. ISSN: 0022-3654

%0 Journal Article
%A Van Gunsteren, W. F.
%A Luque, F. J.
%A Timms, D.
%A Torda, A. E.
%D 1994
%T Molecular Mechanics In Biology - From Structure to Function, Taking
Account Of Solvation
%J Annual Review Of Biophysics And Biomolecular Structure
%V 23
%P 847-863
%O ISSN: 1056-8700

%0 Journal Article
%A Ben-Naim, A.
%A Mazo, R. M.
%D 1993
%T Size Dependence Of the Solvation Free-Energies Of Large Solutes
%J Journal Of Physical Chemistry
%V 97
%N 41
%P 10829-10834
%O 14 OCT. ISSN: 0022-3654

%0 Journal Article
%A Vasquez, M.
%A Nemethy, G.
%A Scheraga, H. A.
%D 1994
%T Conformational Energy Calculations On Polypeptides and Proteins
%J Chemical Reviews,
%V 94
%N 8
%P 2183-2239
%O ISSN: 0009-2665


Pieter Stouten, Senior Research Scientist        ||
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