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Workshop:Molecular Docking & Biomolecular Visualization

GlyCORE CCBRC Hands-on Workshop: March 29, 2023, 9 a.m. to 2 p.m., 106-E JD Williams Library. (No charge, registration required)

Molecular Docking and Biomolecular Visualization Hands-on Workshop presented by the Computational Chemistry and Bioinformatics Research Core of GlyCORE to be held in Room 106-E of the J.D. Williams Library on March 29, 2023, from 9 a.m. until 2 p.m.  Register:

Workshop Summary:

Exploring the atomic-level details of protein-ligand interactions can provide invaluable insights into protein function, paving the way to stop, manipulate or modify its function. This workshop is tailored to introduce students to the exciting field of glycoscience and the powerful technique of molecular docking. Through immersive and hands-on exercises, participants will learn how to build three-dimensional structures of glycans and glycosaminoglycans for docking, and leverage state-of-the-art docking software such as AutoDock Vina, Vina-carb, and PyMOL to predict binding with target proteins. This beginner workshop is highly recommended to anyone interested in getting started with computational glycoscience and molecular docking and gain hands-on experience with computational tools using graphical user interfaces.

By the end of the workshop, students will have a solid understanding of the methods and techniques required for successful molecular docking. Students with no prior experience in Linux and/or docking are strongly encouraged to join the workshop and learn docking technique. Participants are welcome to bring their own molecules of interest so they can practice docking calculations on their preferred systems.