The chapter two introduces the theories which we use, mainly involving the molecular dynamics, the molecular potentialenergyfunction and molecular structures.
第二章介绍我们所要用到的理论知识,主要是涉及分子动力学,分子势能函数和分子结构。
2
The objective function in the model of prediction of protein structure is a potentialenergyfunction, either physics-based potentials or statistic-based potentials.
蛋白质结构预测模型的目标函数通常采用基于物理理论的经验势函数或基于统计理论的平均势能函数。
3
The contribution of shell structure to the potentialenergyfunction can be obtained from an analysis of relative energies of nucleonic configurations in a potential of given shapes.