Course Description
Introduction of the most up-to-date bioinformatics tools, analysis of the strengths and weaknesses of the algorithms and their applications in different biological problems, especially virtual drug design. Topics include sequence alignment, genome comparison, protein structure comparison, structure prediction, model construction and simulation, virtual drug screening, and drug re-purposing.
Athena Title
Computer Drug Design and Engr
Prerequisite
CHEM 2211 or ELEE 2040 or CSCI 1301-1301L or permission of department
Semester Course Offered
Offered spring
Grading System
A - F (Traditional)
Course Objectives
By the end of this course, students will have • learned the concept of computational drug design and how to employ it in biological approaches in drug design • understood the strengths and weaknesses of different algorithms • gained the ability to apply the well-established Bioinformatics tools in each step of the virtual new drug design procedure • gained hands-on experience of virtual drug screening • developed the ability to identify the weaknesses and limitations of current tools
Topical Outline
Students will also get basic training in analytical techniques needed for the laboratory experiments. Examples of topics that will be covered in this course include: • Introduction of computer-aided drug design • Protein 3D structure and function • Topics of Bioinformatics • Sequence alignment • Protein structure and structure prediction • Protein structure comparison • Molecular dynamics simulation • Kinetic models • Binding site prediction • Docking and virtual screening • Drug repurposing