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Audrey G. Fikes; Melissa C. Srougi – Journal of Chemical Education, 2023
The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development. Here we report the design and use…
Descriptors: Chemistry, Science Instruction, Molecular Structure, Drug Therapy
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Toscanini, MariaA.; Recoulat Angelini, Alvaro A.; Troncoso, Maria F.; Curto, Lucrecia M. – Journal of Chemical Education, 2021
Understanding the relationship between protein structure and function can be challenging for students. Molecular visualization software aids students in this problem by allowing manipulation of structures from new and deeper perspectives. In this communication, an activity using iMolview Lite, structure visualization software for portable devices,…
Descriptors: Science Instruction, Molecular Structure, Visualization, Computer Software
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Romero, Rebecca M.; Bolger, Michael B.; Morningstar-Kywi, Noam; Haworth, Ian S. – Journal of Chemical Education, 2020
Drug design and development requires collaboration among scientists with diverse expertise. In early-stage drug design, establishment of promising drug candidates requires integration of structure-based molecular design with biopharmaceutics and ADMET (absorption, distribution, metabolism, excretion, and toxicity) principles. Much of this work is…
Descriptors: Computer Software, Educational Technology, Technology Uses in Education, Pharmacology
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Pinger, Cody W.; Castiaux, Andre; Speed, Savannah; Spence, Dana M. – Journal of Chemical Education, 2018
Plasma protein binding measurements are an important aspect of pharmacology and drug development. Therefore, performing these measurements can provide a valuable and highly practical learning experience for students across many scientific disciplines. Here, we describe the design and characterization of a 3D-printed device capable of performing…
Descriptors: Chemistry, Science Instruction, Computer Peripherals, Pharmacology
Engler, Kevin P. – 1989
Computer models have definite limitations regarding the representation of biological systems, but they do have useful applications in reducing the number of animals used to study physiological systems, especially for educational purposes. This guide lists computer models that simulate living systems and can be used to demonstrate physiological,…
Descriptors: Anatomy, Animal Husbandry, Animals, Annotated Bibliographies