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Direct linkKholod, Yana; Hoag, Erin; Muratore, Katlynn; Kosenkov, Dmytro – Journal of Chemical Education, 2018
The reported project-based laboratory unit introduces upper-division undergraduate students to the basics of computer-aided drug discovery as a part of a computational chemistry laboratory course. The students learn to perform model binding of organic molecules (ligands) to the DNA minor groove with computer-aided drug discovery (CADD) tools. The…
Descriptors: Science Laboratories, College Science, Undergraduate Study, Chemistry
Sweet, Chelsea; Akinfenwa, Oyewumi; Foley, Jonathan J., IV – Journal of Chemical Education, 2018
We present an interactive discovery-based approach to studying the properties of real gases using simple, yet realistic, molecular dynamics software. Use of this approach opens up a variety of opportunities for students to interact with the behaviors and underlying theories of real gases. Students can visualize gas behavior under a variety of…
Descriptors: Discovery Learning, Molecular Structure, Courseware, Kinetics
