title: Group additivity schemes for the calculation of the partial molar heat capacities and volumes of unfolded proteins in aqueous solution.
abstract: A critical review is given of the present state of group additivity schemes for the calculation of partial molar volumes and heat capacities of unfolded proteins. The comparison between the experimental values and the predictions based on the different models shows clearly that only the peptide-based additivity scheme represents properly both the absolute values and the temperature dependence of these thermodynamic quantities.
authors.affiliation: Institute of Fundamental Sciences-Chemistry, Massey University, Private Bag 11222, Palmerston North, New Zealand. g.hedwig@massey.ac.nz
authors.forename: Gavin R
authors.initials: GR
authors.lastname: Hedwig
authors.forename: Hans-Jürgen
authors.initials: HJ
authors.lastname: Hinz
mesh_terms: D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry; D000818:Animals; D005998:Glycine / Q000737:chemistry; D006801:Humans; D008956:Models, Chemical; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry*; D012996:Solutions; D013696:Temperature; D013816:Thermodynamics; D014867:Water
chemical_list: D000596:Amino Acids; D011506:Proteins; D012996:Solutions; D014867:Water; D005998:Glycine