免费软件在药物设计实验中的应用  

Application of Freeware in Drug Design Experimental Course

作　　者：李卫华[1] 刘桂霞[1] 程家高[1] 唐赟[1] 

机构地区：[1]华东理工大学药学院,上海200237

出　　处：《实验室研究与探索》2014年第12期197-200,303,共5页Research and Exploration In Laboratory

基　　金：华东理工大学2013年本科教育教学改革立项建设项目

摘　　要：计算机辅助药物设计是一门新兴的交叉学科,不仅理论性强,而且注重实践动手能力。为巩固理论课的教学成果,增强学生的实践操作能力和学习兴趣,我们为药学专业本科生开设了"药物设计实验"课程。制药企业和学术界的药物设计平台通常采用商业软件包。虽然商业软件功能丰富,但也存在费用昂贵、对硬件要求高等问题,不适用于大规模的实验教学。过去几年我们尝试将一些能免费获取的软件应用于"药物设计实验"课程的教学,取得了较好的效果。论文根据该课程实验的设置内容,介绍了这些免费软件在药物设计实验中的应用,具有较好的推广价值。Computer aided drug design is a new interdisciplinary subject,which has not only sound theoretical basis but also requires strong practical ability. For strengthening the effects of the theoretical class teaching,increasing the students＇ practical ability,and enhancing their interest,we have offered a course called Drug Design Experiments for undergraduates. Commercial software packages are most often used in pharmaceutical industry and academics. Although they have powerful functions,these software packages are costly and high-demanding for hardware,which makes them unsuitable for class teaching. In the past few years,we have tried to apply freeware to our course teaching,and obtained good results. According to the contents of the course,the detailed applications of some free popular molecular modeling software in the course are introduced in this paper. Our experience can be extended to other similar courses.

关 键 词：计算机辅助药物设计 药物设计实验 免费软件 实验教学 

分 类 号：G642.0[文化科学—高等教育学]