Olatunji O L, Premilat S
Int J Pept Protein Res. 1987 Jan;29(1):1-8. doi: 10.1111/j.1399-3011.1987.tb02224.x.
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.
最近提出的一种经筛选的水化静电势模型，被用于模拟脑啡肽和血管紧张素II在溶液中的统计行为。给出了端到端距离的曲线以及核磁共振耦合常数的计算值，并与实验结果以及其他理论研究所得结果进行了比较。计算值与相应实验数据之间令人满意的一致性表明，当前的理论方法是一种考虑溶剂对生物分子构象影响的简单而有效的方式。
