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Fractals for hybrid orbitals in protein models

机译:蛋白质模型中杂交轨道的分形

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The concept of fractal has been applied to a number of properties of proteins. The structure and shape of the polypeptide chain of proteins are determined by the hybridized states of atomic orbitals in the molecular chain. The fractal dimension in the range of short distances (1-10 /spl Aring/) of the tertiary structures of some proteins covering various structural classes of protein molecules have been analyzed and compared with a Gaussian chain. The interpretation is given in terms of steric repulsion. The calculated s ratio in the sp/sup n/ hybrid orbitals is computed from the fractal dimension. A mean value of about 0.29 predicts sp/sup 2.46/ hybrid orbitals, half-way between planar sp/sup 2/ orbitals and tetrahedral sp/sup 3/ hydrids. The /spl beta/ proteins are distinguished quantitatively from other classes. They show a higher s ratio (about 0.32) which predicts about sp/sup 2.1/ hybrid orbitals, very similar to planar sp/sup 2/ orbitals.
机译:分形的概念已应用于蛋白质的许多性质。蛋白质链的结构和形状由分子链中的杂交原子轨道的杂交状态测定。已经分析了覆盖各种蛋白质分子各种蛋白质分子的一些蛋白质的三级结构的短距离(1-10 / SPL浇铸/)的分形尺寸,并与高斯链进行了比较。在空间排斥方面给出了解释。 SP / SUP N / Hybrid轨道中的计算比率从分形维数计算。平均值约为0.29预测SP / SUP 2.46 /杂种轨道,平面SP / SUP 2 /轨道和四面体SP / SUP 3 /氢化物之间的中途。 /SPRβ/蛋白质是从其他类别的定量分辨。它们显示出更高的S比率(约0.32),其预测SP / Sup 2.1 /杂种轨道,与平面SP / Sup 2 /轨道非常相似。

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