Molecular Modeling in the Undergraduate Chemistry Curriculum

本科化学课程中的分子建模

• 批准号: 9350843
• 负责人: Adele Wolfson
• 金额: $ 2.87万
• 依托单位: Wellesley College
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-05-15 至 1995-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9350843&HistoricalAwards=false
• 关键词: Molecular; Modeling; Undergraduate; Chemistry; Curriculum

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.

该项目将开发交互式图形的使用， 分子模拟软件，相当于一个实验室， 教授化学和生物化学的结构原理。 学生将进行建模，能量计算和构象 小分子的分析，以及分析和操作 蛋白质结构。 该设备的使用范围将扩大到 有机和入门课程。学生/教师研究是 课程和工作站的重要组成部分， 软件将用于化学的所有领域， 本部门向学生介绍这些系统的使用 在他们科学生涯的早期， 独立，让他们自己发现如何 化学性质与分子结构有关。