Fragment Based Drug Design - Link Multiple Fragments
This video covers the Fragment-Based Drug Design tools in MOE, specifically using the Link Multiple Fragments to link two separate fragments and generate a single small molecule ligand.
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=36&autoplay=1[label]0:36 Loading a structure[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=83&autoplay=1[label]1:23 Structure preparation with QuickPrep[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=190&autoplay=1[label]3:10 Rendering using the System Manager[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=240&autoplay=1[label]4:00 Setting up the Link Multiple Fragments panel[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=298&autoplay=1[label]4:58 Duplicating the ligand using the System Manager[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=350&autoplay=1[label]5:50 Identifying connections with Ligand R-Vectors[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=410&autoplay=1[label]6:50 Selecting optional connections[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=483&autoplay=1[label]8:03 Minimizing and scoring newly generated ligands[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=626&autoplay=1[label]10:26 Rank ordering results using the Database Viewer[link end]
[link]video.chemcomp[d]com/watch/XECQAkdQRoTwwbUnm6BT4X?second=660&autoplay=1[label]11:00 Qualitative analysis using the Database Browser[link end]
