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Phys Rev Lett. 2007 Sep 21;99(12):128101. Epub 2007 Sep 17.

Solvation of proteins: linking thermodynamics to geometry.

Author information

1
Max-Planck-Institut für Metallforschung, Heisenbergstrasse 3, 70569 Stuttgart, Germany.

Abstract

We calculate the solvation free energy of proteins in the tube model of Banavar and Maritan [Rev. Mod. Phys. 75, 23 (2003)10.1103/RevModPhys.75.23] using morphological thermodynamics which is based on Hadwiger's theorem of integral geometry. Thereby we extend recent results by Snir and Kamien [Science 307, 1067 (2005)10.1126/science.1106243] to hard-sphere solvents at finite packing fractions and obtain new conclusions. Depending on the solvent properties, parameter regions are identified where the beta sheet, the optimal helix, or neither is favored.

PMID:
17930555
DOI:
10.1103/PhysRevLett.99.128101
[Indexed for MEDLINE]

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