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Direct linkTantillo, Dean J.; Siegel, Justin B.; Saunders, Carla M.; Palazzo, Teresa A.; Painter, Phillip P.; O'Brien, Terrence E.; Nuñez, Nicole N.; Nouri, Dustin H.; Lodewyk, Michael W.; Hudson, Brandi M.; Hare, Stephanie R.; Davis, Rebecca L. – Journal of Chemical Education, 2019
A series of computational laboratory experiments aimed at teaching students principles of rational drug design are described and evaluated. These experiments range from an introduction to viewing protein-ligand complexes to optimizing geometries of potential drugs with quantum chemistry and automated docking. Student feedback indicates that such a…
Descriptors: Undergraduate Students, Laboratory Experiments, Chemistry, College Science
