Solvent dependent conformational statistics of enkephalin and angiotensin II

A screened electrostatic potential model of hydration, recently proposed, is used to simulate the statistical behaviour of enkephalin and angiotensin II in solution. Curves of the end-to-end distances as well as calculated values of n.m.r. coupling constants are given and compared with experiments and results obtained from other theoretical studies. The satisfactory agreement between calculated values and the corresponding experimental data indicates that the present theoretical approach is a simple and efficient way to take into account solvent effects on the conformation of biological molecules.