Molecular Modeling in the Undergraduate Chemistry Curriculum

该项目将开发交互式图形和分子建模软件的使用，作为化学和生物化学结构原理教学的实验室。学生将进行小分子的建模、能量计算和构象分析，以及蛋白质结构的分析和操作。设备的使用将扩展到有机课程和入门课程。学生/教师的研究是课程的重要组成部分，工作站和软件将用于化学系的所有领域。在学生的科学生涯早期向他们介绍这些系统的用途，将使他们更加独立，使他们能够自己发现化学性质与分子结构的关系。

The project will develop the use of interactive graphics and molecular modeling software as the equivalent of a laboratory for teaching structural principles in chemistry and biochemistry. Students will do modeling, energy calculations and conformational analysis of small molecules, as well as analysis and manipulation of protein structures. Use of the equipment will be extended to the organic and introductory courses. Student/faculty research is an important part of the curriculum and the workstations and software will be utilized in all areas of chemistry represented in the department. Introducing students to the uses of these systems early in their scientific careers will allow them more independence, permitting them to discover for themselves how chemical properties are related to molecular structure.