计算机图形学是70年代后期发展起来的一项新技术,在药物研究领域的应用已愈来愈广,逐渐成为研究受体三维结构及其与生物功能关系的不可缺少的工具。受体的三维结构是设计药物分子的基础,利用计算机图形技术进行分子模拟,可以根据已知或未知结构的受体模型进行药物分子设计,并使其能与受体产生较好的配合作用。本文综述了计算机图形学在这一领域的应用。 Computer graphics, a new technology developed in the late 1970s, has become more and more widely used in the field of drug research and has gradually become an indispensable tool for studying the three-dimensional structure of receptors and their relationship with biological functions. The three-dimensional structure of the receptor is the basis for the design of drug molecules. Computer modeling can be used to perform molecular modeling. Drug molecules can be designed according to the receptor model with known or unknown structure, and the receptors can be well coordinated with each other. This article summarizes the application of computer graphics in this area.