【摘要】 简述了蛋白质结构预测中存在的问题,主要介绍了蛋白质分子力场的一种模型即联合残基力场,然后利用这种模型对一种多肽和葡萄球菌蛋白的部分段进行试验,使它们的能量不同程度的得到了最小化,其中前者的初始能量为-71.50461kcal/mol,最小化后为-73.32767kcal/mol.更多还原

【Abstract】 A brief summary of the problems in protein structure prediction is give at first,then united residue force field is introduced and based on this force field energy minimization of Ac-Ala19-NHMe and the 10-55 fragment of the B-domain of staphylococcal protein A is carried out.The energy of staphylococcal protein A fragment before and after are respectively -81.31822 kcal/moland -144.8705 kcal/mol,which justifies the validity of UNRES.更多还原