Development of Computational Chemistry and Computer GraphicsLaboratory Experiments and Manuals

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9452586 Shields The aim of this project is to bring high-speed computing and graphics capabilities to the chemistry curriculum at Lake Forest College. A Silicon Graphics IRIS INDIGO workstation has been acquired for use in Physical Chemistry, Biochemistry and student research projects. In addition, the workstation is being used in Natural Science 100, a new required core course for all entering students not enrolled in a regular natural science course. In the physical chemistry curriculum, the workstation is networked to Macintosh computers, so that an entire class can perform quantum-mechanical calculations on the workstation while preparing input and analyzing output on the Macintosh platforms. In the biochemistry curriculum, the workstation is being used to study the crystal structures available from the Brookhaven Protein Data Bank, and for molecular dynamics simulations. Student research projects in computational chemistry and X-ray crystallography are greatly enhanced with the acquisition of the workstation. The graphics capabilities of the workstation are being used in the Natural Science course to illustrate molecular interactions in biochemical systems, with particular emphasis on the interactions of enzymes with substrates and DNA-binding proteins with DNA. A primary goal of this proposal is the development of two laboratory manuals. The first will contain meaningful exercises in quantum chemistry, while the second will be a graphics course centered on enhancing the understanding of biochemistry.