Poltev V I, Zhorov B S
Biofizika. 1982 Mar-Apr;27(2):320-2.
By using classical potential functions, nonbound interaction energy calculations are carried out on the deoxydinucleoside phosphate complexes dUpdA:dUpdG and dUpdU:dGpdA. All dihedral and bond angles, except those of the nitrogen bases, are varied. On the basis of the calculations possible conformations of nucleic acid fragments containing G:U base pair are proposed. Dihedral angles of the conformations are close to those of regular Watson-Crick helices while interaction energies are 3-4 kcal/mole higher than that of A:U containing fragment conformations.
通过使用经典势能函数,对脱氧二核苷酸磷酸复合物dUpdA:dUpdG和dUpdU:dGpdA进行了非束缚相互作用能计算。除了碱基的二面角和键角外,所有二面角和键角都发生了变化。基于这些计算,提出了含有G:U碱基对的核酸片段的可能构象。这些构象的二面角与规则的沃森-克里克螺旋的二面角接近,而相互作用能比含有A:U的片段构象的相互作用能高3-4千卡/摩尔。