Fragment Based Drug Design - Combinatorial Builder
This video covers the Fragment-Based Drug Design tools in MOE, specifically using the Combinatorial Builder for growing a ligand at multiple points simultaneously.
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=32&autoplay=1[label]0:32 Loading a structure[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=80&autoplay=1[label]1:20 Structure preparation with QuickPrep[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=190&autoplay=1[label]3:10 Rendering using the System Manager[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=224&autoplay=1[label]3:44 Adjusting the Hydrogens display=[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=234&autoplay=1[label]3:54 Binding pocket analysis using Surfaces[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=294&autoplay=1[label]4:54 Identifying connections with Ligand R-Vectors[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=335&autoplay=1[label]5:35 Setting up the Combinatorial Builder panel[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=447&autoplay=1[label]7:27 Minimizing and scoring newly generated ligands[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=490&autoplay=1[label]8:10 Define connections to associate R-group libraries[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=650&autoplay=1[label]10:50 Rank ordering results using the Database Viewer[link end]
[link]video.chemcomp[d]com/watch/zY1HEV64W34WFV51pUZwSE?second=682&autoplay=1[label]11:22 Qualitative analysis using the Database Browser[link end]
