Molecular Mechanics Laboratory for Undergraduate Instruction

正在建立一个分子建模实验室，向本科生介绍计算化学这一极其重要的领域。学生利用实验室进行与班级相关的研究和本科生的研究。通过三维结构、分子轨道、蛋白质动力学、酶底物结合、反应路径、振动光谱等的计算和可视化，生物、有机、无机和物理化学的基本原理的教学得到了实质性的改进。只要有可能，就会使用实验室的计算来解决学生在实验实验室进行测量时产生的问题。化学、生物化学和分子生物学专业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研究中，实验室加强学生对基本化学原理的理解，并向他们介绍研究生院和工业中常规使用的现代计算方法。

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.