Biomolecular Modeling and Simulations. ((4 Credits))

Catalog description

Prerequisite(s): CHEM 3600 or BIOL 3600 , and University Advanced Standing Introduces students to the field of molecular modeling and simulations and to the wide range of problems that can be tackled using computational methods. Focuses on biomolecular simulations and computer-aided drug discovery. Emphasizes the connection between structure, dynamics, and function. Teaches application of algorithmic thinking to solving complex problems. Develops practical skills needed to perform simulations and analyze the results. Develops understanding of the inherent approximations and limitations of the methods for adequate assessment of modeling results. Covers topics such as molecular visualization and rendering, molecular dynamics simulations, and computer-aided drug discovery through virtual screening and small molecule docking.