The results could be used to explain the mechanism of DNA cleavage by SH, which supposed that the formation of penta-coordinate phosphorus intermediate caused the phosphodiester bond hydrolysis.

• 通过计算得到了丝组二肽与DNA形成多氢键作用的有效分子识别模型及相关分子结构参数,从理论上解释了丝组二肽与DNA通过形成五配位磷中间体而使磷酸二酯键发生水解,从而使得DNA被切断的作用机理。