Vol'kenshteĭn M V, Golovanov I B, Sobolev V M
Mol Biol (Mosk). 1979 May-Jun;13(3):633-48.
Orbital and Coulomb terms in total energy of the molecule may be estimated with the use of parameters, that were calculated from experimental or estimated data for the test molecules. It has been demonstrated how the parameters for calculating the barriers of internal rotation in ethane-like molecules and amides may be selected. These parameters were used for studying the interactions between two peptide groups in 2-formamideacetamide--the primitive model of peptide.
分子总能量中的轨道项和库仑项可以通过使用从测试分子的实验数据或估算数据计算得到的参数来估算。已经证明了如何选择用于计算乙烷类分子和酰胺中内旋转势垒的参数。这些参数被用于研究2-甲酰胺基乙酰胺（肽的原始模型）中两个肽基团之间的相互作用。
