Molecular Mechanics Laboratory for Undergraduate Instruction

本科教学分子力学实验室

• 批准号: 9552386
• 负责人: Stephen Sontum
• 金额: $ 4.2万
• 依托单位: Middlebury College
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-06-15 至 1998-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9552386&HistoricalAwards=false
• 关键词: Molecular; Mechanics; Laboratory; Undergraduate; Instruction

A Molecular Modeling Laboratory is being established to introduce undergraduate science students to the extremely important area of computational chemistry. Students use the laboratory for class-related studies and in undergraduate research. Instruction of the basic principles of biological, organic, inorganic, and physical chemistry are substantially improved through the calculation and visualization of 3-D structure, molecular orbitals, protein dynamics, enzyme substrate binding, reaction pathways, vibrational spectra, and more. Whenever possible, calculations from the laboratory are used to address questions arising from measurements the students make in the experimental laboratories. Senior thesis students in the chemistry, biochemistry, and molecular biology programs use these powerful computational methods and visualization techniques to understand and interpret their research results. In both course-related studies and undergraduate research, the laboratory enhances the students' understanding of basic chemical principles as well as introduces them to modern computational methods routinely used in graduate school and industry.

正在建立一个分子建模实验室，以向理科本科生介绍极其重要的计算化学领域。 学生使用实验室进行与课程相关的研究和本科生研究。 通过 3D 结构、分子轨道、蛋白质动力学、酶底物结合、反应途径、振动光谱等的计算和可视化，生物、有机、无机和物理化学基本原理的教学得到了显着改善。 只要有可能，实验室的计算就会被用来解决学生在实验实验室中进行的测量所产生的问题。 化学、生物化学和分子生物学项目的高级论文学生使用这些强大的计算方法和可视化技术来理解和解释他们的研究结果。 在与课程相关的研究和本科生研究中，实验室增强了学生对基本化学原理的理解，并向他们介绍了研究生院和工业界常用的现代计算方法。