虚拟原子受体表面模型法研究进展

The Research Progress in Quasi-atomistic Receptor Models

有机物的定量结构-活性关系(QSAR)技术,在药物设计中起到了越来越重要的作用.本文总结了QSAR的基本原理与方法,以及虚拟原子受体表面模型法(quasar)的主要理论以及该法建立模型的步骤,及其在药物设计中的应用.本文对于促进面向药物设计QSAR技术的研究和发展,具有一定的指导意义.

Computer-based quantitative structure-activity relationship(QSAR) model has been becoming a powerful tool in drug design in this study,the basic principle of Quantitative structure-activity relationships(QSAR) is introudced;and the paper summarized emphatically the main principle and the steps of an establishing QSAR model if Quasi-atomistic receptor models that is one of QSAR methods,as well as some research and application progress of this method in medicine design.The obtained result can provide a feasib...