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Solvation of Proteins: Linking Thermodynamics to Geometry

by: Hendrik H. Goos, Roland Roth, Klaus Mecke, S. Dietrich
Physical Review Letters, Vol. 99, No. 12. (Sep 2007), 128101, doi:10.1103/physrevlett.99.128101  Key: citeulike:1771250

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Abstract

We calculate the solvation free energy of proteins in the tube model of Banavar and Maritan [ Rev. Mod. Phys. 75 23 (2003)] 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)] to hard-sphere solvents at finite packing fractions and obtain new conclusions. Depending on the solvent properties, parameter regions are identified where the β sheet, the optimal helix, or neither is favored.


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