Molecular Mechanics Laboratory for Undergraduate Instruction

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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.