GS13 1011 Computer-Aided Drug Design
- Course Coordinator(s): Zhang, Shuxing; Gorfe, Alemayehu
- Semester: Fall
- Frequency: Annually
- Credit Hours: 1
- Grading System: Letter Grade
Zhang, Shuxing; Gorfe, Alemayehu. One semester hour. Fall, annually. Grading System: Letter Grade. Prerequisite: None, but basic knowledge of chemistry (2D chemical structures, amino acid, etc.) is recommended.
This course gives introductory knowledge of computer-aided drug design, including cheminformatics, bioinformatics, structural modeling and molecular dynamics. All drug discovery stages will be discussed with emphasis on the application of computational approaches in the pipeline, consisting of target identification and validation, hit/lead discovery and optimization, and ADME/Toxicity studies. The objectives of this course are to introduce the participants to different computational methods for drug discovery and development. After finishing this course, the students are expected to be familiar with modern cheminformatics and structure-based approaches for drug discovery, including QSAR, pharmacophore modeling, molecular docking, virtual screening, ADME/Toxicity predictions, sequence alignment, homology modeling, and protein structure prediction.