分子模拟软件SYBYL在药物设计实验中的应用

Application of Molecular Simulation Software SYBYL in Drug Design Experiment

药物设计学在我国的药物创新人才培养系统中有重要作用。本校的药物设计实验课主要是突出在药物研发中高频使用的几种计算模拟方法:小分子构建与能量最小化、分子参数计算、分子对接、定量构效关系研究。实验内容与学科发展前沿紧密结合,学生学完课程能够开展基础的药物设计,有利于扩展学生专业知识,培养基础稳固、实干创新的人才。

Drug design plays an important role in drug innovation talent training system of China.The drug design experiment course of our university mainly highlights several computational simulation methods frequently used in drug research and development:small molecule construction and energy minimization,molecular parameter calculation,molecular docking,and quantitative structure-activity relationship.The experimental content is closely integrated with the frontiers of discipline development.After completing the course,students can carry out basic drug design,which is conducive to expanding students'professional knowledge and cultivating talents with a solid foundation and practical innovation.