分支定界法在计算机辅助质谱解析蛋白质序列分析中的应用

The Application of Branch and Bound Method for Computer─Aided Interpretation of MS data of Peptide and Protein

引进运筹学中的分支定界法用于解析蛋白质及多肽的质谱图，考查了碎片离子质量数、质谱仪的分辨率与可行解数的关系：质量数越小，质谱分辨率越高，可行解数越少，获得的结果也比较确定；反之，则结果的可靠性越小。在此基础上，实际解析了一多肽质谱图，获得了较为满意的结果。运用本法解析有关蛋白质及多肽的质谱图，具有快速、准确、简便的特点，它为生化分析工作者检测蛋白质及多肽的氨基酸序列提供了一条比较可行的途径。

This paper introduced Branch and Bound Method which is subordinate to operational research to compute the number of combinations for a peptide with a given mass number.It was found that the number of possible combinations increased rapidly with the mass number and the higher the resolution capacity of spectrometer,the less the number of possible combinations was.We can acquire some more suitable pormutations of amino acids.On the basis of this metho.A mass spectrogram of a certain peptide was successfully interpreted.It is shown that the process is rapid,accurate and simple,and provides a feasible method for the analysis of amino acid sequence of protein and peptide.