Medc 319: Computer-Aided Drug Design
The student will learn to utilize state-of-the-art commercial software to conduct Computer-Aided Structure Based Drug Design (CADD). De novo design will be conducted after database screening (aka database mining, virtual screening) as a method to invent small molecules that bind to the active site(s) of protein X-ray structures. The course will involve discussion of protein molecules, X-ray crystallography produced structures of proteins or protein-ligand complexes, molecular interactions that are either attractive or repulsive in nature, and computer software for visualization, manipulation, and energy calculations.
- Pre-requisite: Pharmacy PY1 or PY2
- Lecture/Lab: Lecture/Lab for Medc 319