Fragment Based Drug Design - Scaffold Replacement; Select R Atoms
This video covers the Fragment Based Drug Design tools in MOE, specifically using the scaffold replacement - Select R atoms operation which allows exploration of multiple attachment points.
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=38&autoplay=1[label]0:38 Loading a structure[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=84&autoplay=1[label]1:24 Structure preparation with QuickPrep[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=198&autoplay=1[label]3:18 Rendering using the System Manager[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=240&autoplay=1[label]4:00 Setting up the Scaffold Replacement panel[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=411&autoplay=1[label]6:51 Minimizing and scoring newly generated ligands[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=555&autoplay=1[label]9:15 Rank ordering results using the Database Viewer[link end]
[link]video.chemcomp[d]com/watch/EtjHHogobxBr8EXA7ddiVR?second=583&autoplay=1[label]9:43 Qualitative analysis using the Database Browser[link end]
