Khutorskii V E, Poltev V I
Mol Biol (Mosk). 1975 Sep-Oct;9(5):747-51.
The calculations have been carried out of interaction energy between complementary base pairs of nucleic acids in the function of conformational parametres of double helix (Arnott's parameters) by the method of atom-atom potential functions. Interaction energy as a function of conformational parametres is valley-like and varies little along the bottom of the valley. The regions of interaction energy minima are compared with experimentally determined conformational parametres of nucleic acid double helices. On the basis of calculation results the pathways of conformational transitions between different forms of double-helical polynucleotides are discussed.
已通过原子 - 原子势函数法,根据双螺旋的构象参数(阿诺特参数)计算了核酸互补碱基对之间的相互作用能。作为构象参数函数的相互作用能呈谷状,且在谷底沿谷底变化很小。将相互作用能最小值区域与实验测定的核酸双螺旋构象参数进行了比较。基于计算结果,讨论了不同形式双螺旋多核苷酸之间构象转变的途径。