Interactive Structure-Based Drug Design
This video covers MOE applications for interactive structure-based design, including active site visualization, protein-ligand contact analysis and ligand modification/optimization in the receptor pocket.
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=42&autoplay=1[label]0:42 Loading a PDB Complex[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=90&autoplay=1[label]1:30 Structure preparation with Quickprep[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=216&autoplay=1[label]3:36 Rendering using the System manager[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=276&autoplay=1[label]4:36 Protein-Ligand interaction analysis[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=487&autoplay=1[label]8:07 Binding pocket analysis using surfaces and maps[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=982&autoplay=1[label]16:22 Displaying ligand properties[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=1042&autoplay=1[label]17:22 Modeling a new ligand using the builder[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=1110&autoplay=1[label]18:30 Adjusting torsion angles[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=1266&autoplay=1[label]21:06 Modifying a ligand using fragments[link end]
[link]video.chemcomp[d]com/watch/xZZ88TSs3e54NaX55juGCx?second=1357&autoplay=1[label]22:37 Comparing the analogue to the original co-crystal ligand[link end]
