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Elizabeth W. Kelley – Journal of Chemical Education, 2023
The pharmaceutical industry has been a major player in improving life expectancies and driving chemistry employment. While computational chemistry tools increasingly guide pharmaceutical research decisions, high school and undergraduate chemistry curricula do not reflect the prevalence of such techniques. Incorporation of computational tools into…
Descriptors: Secondary School Science, High School Students, Chemistry, Computer Assisted Design
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Tantillo, 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
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Blachut, Klaus – School Science Review, 2018
3D printers can do a lot more than just printing nice little giveaways such as keyring pendants or chess pieces. During a project at the Holbein-Gymnasium Augsburg in Bavaria, Germany, students developed a number of helpful tools for chemistry lessons and tested them in classes. Full details of these are now available for free to any teacher who…
Descriptors: Science Instruction, Secondary School Students, Printing, Computer Peripherals
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Stowe, Ryan; Elvey, Jacob – Science Teacher, 2016
Chemistry in high school is often presented as a jumbled mass of topics drawn from inorganic, analytical, and physical sub-disciplines. With no central theme to build on, students may have trouble grasping the chemical sciences as a coherent field. In this article, Stowe and Elvey describe an activity that integrates different facets of chemistry…
Descriptors: Computer Assisted Design, Chemistry, Biochemistry, Molecular Biology
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Davis, Eric J.; Jones, Michael; Thiel, D. Alex; Pauls, Steve – Journal of Chemical Education, 2018
Additive manufacturing (3D printing) is a technology with near-unlimited potential for the chemical educator. However, its adoption into higher education has been limited by the dual requirements of expertise in 3D printing and 3D computer-aided design (CAD). Thus, its reported utilization in the chemistry curriculum has been within the creation…
Descriptors: Chemistry, Science Education, Open Source Technology, Computer Peripherals
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Hoyer, Chad E.; Kegerreis, Jeb S. – Journal of Chemical Education, 2013
The essentials of Monte Carlo integration are presented for use in an upper-level physical chemistry setting. A Mathcad document that aids in the dissemination and utilization of this information is described and is available in the Supporting Information. A brief outline of Monte Carlo integration is given, along with ideas and pedagogy for…
Descriptors: Monte Carlo Methods, Chemistry, Physics, Computer Assisted Design
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Asoodeh, Mike; Bonnette, Roy – AACE Journal, 2006
It has become widely accepted that the computer is an indispensable tool in the study of science and technology. Thus, in recent years curricular programs such as Industrial Technology and associated scientific disciplines have been adopting and adapting the computer as a tool in new and innovative ways to support teaching, learning, and research.…
Descriptors: Program Descriptions, Curriculum Development, Graduate Study, Undergraduate Study