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.
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=38&autoplay=1[label]0:38 Loading a structure[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=72&autoplay=1[label]1:12 Structure preparation with QuickPrep[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=171&autoplay=1[label]2:51 Rendering using the System Manager[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=221&autoplay=1[label]3:41 Inspecting the protein-ligand interactions[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=284&autoplay=1[label]4:44 Preparing the protein for docking with the Builder[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=328&autoplay=1[label]5:28 Setting up the Dock panel[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=607&autoplay=1[label]10:07 Inspecting the results in the Database Viewer[link end]
[link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C5v?second=661&autoplay=1[label]11:01 Qualitative analysis using the Database Browser[link end]
