应用分子图形学、分子力学、量子化学及静电势研究农药分子结构与性能关系(Ⅳ)——应用MMX及构象重叠方法研究磺酰脲类超高效除草剂的构象特征

Using Molecular Graphics, Molecular Mechanics, Quantum Chemistry and Electrostatic Potential Methods to Study Structure-Property Relationship on Pesticides(Ⅳ) --Study on Characteristics of Conformations of Sulfonylureas Herbicides by MMX and Conf

应用分子力学程序MMX及逐步旋转单键法,探讨了一系列磺酰脲超高效除草剂的优势构象,并应用构家重迭方法研究了它们的构象特征,假设了与受体作用的初步模型.

Here we have reported the study on the characteristics of conformations of a series of DPX sulfonylurea molecules by molecular mechanics MMX and with the help of conformation-su-perimposition method. a crude model of interaction between sulfonylurea molecule and acceptor has been suggested.