【摘要】 本文用CNDO/2晶体轨道方法研究了金属离子和水对蛋白质能带结构的影响。结果能带变化的程度与金属离子或水结合的部位有关;在某些结合部位,价带宽和(或)禁带宽发生了很大的变化。更多还原

【Abstract】 The effects of metal ions and waters on the energy band structures of proteins have been investigated with the aid of CNDO/2 Crystal Orbital method. The results indicate that the degree of the change of the band structures depends on the bonded positions by the metal ions or water, and in some bonded positions,the widths of the valence bands and/or the forbidden bands are greatly changed.更多还原