摘要
本文利用自编LCBO—MO(成键轨道线性组合分子轨道)法计算程序,对二个多肽分子Prop—Phe—Val—Leu—Ala—OMe和Ac—Gly—Gly—Ile—Gly一OMe的主要骨架键断裂几率进行理论计算。并与Kiryushkin等所提供的质谱数据估算的主要肽键骨架键实验断裂几率进行比较,得到较为一致结果。
The quantitative interpretation of the positions of bond-scission appearing in poptides-Prop-Phe-Val-Leu-Ala-Ome and Ac-Gly Gly Ile Gly Ome are predicted from the charge dis-tribution of the HOMO of a molecular ion by the self-edited LCBO-MO Calculated Programoperated in VAX-11/785 computer.
关键词
分子轨道
四肽
键断裂
Molecular orbital
Tatrapepfide
Bond rupture
