MOLECULAR THERMODYNAMICS OF HYDROPHOBIC EFFECTS

There have been two new advances in molecular thermodynamic models of hydrophobic effects. One is an information theory model for predicting free energies of hydrophobic hydration and hydrophobic interactions b ased on an analysis of density fluctuations in pure liquid water. The second involves the use of proximity approximations to predict water s tructure around hydrophobic or moderately amphiphilic molecular solute s of arbitrary size and shape. Recently, computer simulation studies o f the effect of pressure on water structure and hydrophobic interactio ns have also been carried out.