An upper-division undergraduate laboratory experiment is described that explores the structure/function relationship of protein domains, namely leucine zippers, through a molecular graphics computer program and physical models fabricated by 3D printing. By generating solvent accessible surfaces and color-coding hydrophobic, basic, and acidic amino…

Discusses under what conditions computer simulations should be used. Considers the aspects and qualities of computer simulations used in simulating science laboratory experiments. Provides suggestions for selecting or designing simulations. Examines the idea of transfer when using simulations. (MVL)