Solvation of proteins: linking thermodynamics to geometry.
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.
Hansen-Goos
Hendrik
H
Max-Planck-Institut für Metallforschung, Heisenbergstrasse 3, 70569 Stuttgart, Germany.
Roth
Roland
R
Mecke
Klaus
K
Dietrich
S
S
D008433:Mathematics; D008956:Models, Chemical; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry*; D012995:Solubility; D012997:Solvents; D013816:Thermodynamics
D011506:Proteins; D012997:Solvents