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GS13 1011: Computer-Aided Drug Design

Zhang, Shuxing. One semester hour. Fall annually. Prerequisite: Basic knowledge of chemistry (2D chemical structures, amino acid, etc)

This course gives introductory knowledge of computer-aided drug design, including both cheminformatics and bioinformatics. All drug discovery stages will be discussed with emphasis on the application of computational approaches in the pipeline, consisting target identification and validation, hit and 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 bioinformatics approaches, including QSAR, pharmacophore modeling, molecular docking, virtual screening, ADME/Toxicity predictions, sequence alignment, homology modeling, and protein structure prediction.