作者: Jack Kyte
DOI: 10.1016/S0301-4622(02)00281-8
关键词: Dissociation (chemistry) 、 Accessible surface area 、 Chemistry 、 Free energies 、 Computational chemistry 、 Alkadienes 、 Hexadecane 、 Gas phase 、 Hydrophobic effect 、 Chemical physics 、 Molecule 、 Biophysics 、 Organic chemistry 、 Biochemistry
摘要: The property of a molecule that most reliably determines the magnitude hydrophobic effect it will experience is number hydrogen-carbon bonds contains not accessible surface area its nonpolar portions. This conclusion follows from an examination standard free energies transfer alkanes, alkenes, alkadienes, and arenes water to hexadecane. When for hydrocarbons in these different classes are plotted as function they contain, all data fall upon same line. These also directly proportional contain. areas hydrocarbons, do line nor areas. An gas phase hexadecane reinforces rather than basis effect. Consequently, estimates contribution functional groups providing energy folding protein or dissociation association two proteins ligand with should be made by counting excluded computing water.