论文部分内容阅读
利用ＡＭ１方法研究了３，４二羰基苯乙胺与一系列双氨基化合物的分子识别作用。结果表明，双氢键的形成有利于体系能量的降低，并且具有亲疏水环境相一致的分子对有更稳定的能量状态。基于上述讨论，提出了微观环境匹配的识别分子设计原则。
AM1 method was used to study the molecular recognition of 3,4-dicarbonyl-phenethylamine with a series of diamino compounds. The results show that the formation of dihydrogen bonds is conducive to the reduction of the energy of the system, and the molecules with consistent hydrophobic and hydrophobic environments have a more stable energy state. Based on the above discussion, the design principles of recognition molecules for micro-environment matching are proposed.