【摘要】 计算了三方二锌胰岛素晶胞不对称单位中两个胰岛素分子单体及其双体的分子静电势.结果表明:胰岛素两个单体分子的构象不同,其分子表面静电势也不相同.由于它们的构象是类似的,所以其电势分布也是接近的.单体胰岛素分子的表面静电势呈类偶极型分布,双体的表面静电势基本保持单体的特征.文中还比较了两个单体分子及其集聚后的静电势变化.更多还原

【Abstract】 The molecular electrostatic potential on the surface of the monomeric and dimeric insulin molecules have been calculated by means of CNDO/2 monopole model. It can be seen that the electrostatic potential distribution of the monomeric molecule Ⅰ and monomeric molecule Ⅱ appears as a distribution state of dipolarlike type. They keep their character of this distribution in dimer strongly. The difference of the molecular electrostatic potential of molecule Ⅰ and molecule Ⅱ has been studied and analysed. The character of dimer’s electrostatic potential has been pointed out.更多还原