Covalent Docking

This video covers the reaction-based Covalent Docking tool in MOE. Here, a virtual reaction is used to covalently attach ligands to a target protein and investigate how the protein and ligand interact. 0:38 Loading a structure 1:12 Structure preparation with QuickPrep 2:51 Rendering using the System Manager 3:41 Inspecting the protein-ligand interactions 4:44 Preparing the protein for docking with the Builder 5:28 Setting up the Dock panel 10:07 Inspecting the results in the Database Viewer 11:01 Qualitative analysis using the Database Browser __________________________________________________________________________________________________ Subscribe to our YouTube channel for updates: https://bit.ly/3ICXK0W Visit CCG at https://www.chemcomp.com/ Listen to our podcast: https://bit.ly/3WQGPKY Follow us on LinkedIn: https://www.linkedin.com/company/chemical-computing-group/ X: https://twitter.com/CCG_MOE/