Fragment Based Drug Design - MedChem Transformations
This video covers the Fragment-Based Drug Design tools in MOE, specifically using the MedChem Transformations operation for making bioisosteric replacements.
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=27&autoplay=1[label]0:27 Loading a structure[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=72&autoplay=1[label]1:12 Structure preparation with QuickPrep[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=190&autoplay=1[label]3:10 Rendering using the System Manager[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=258&autoplay=1[label]4:18 Setting up the MedChem Transformations panel[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=302&autoplay=1[label]5:02 Selecting a subset of atoms[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=375&autoplay=1[label]6:15 Minimizing and scoring newly generated ligands[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=457&autoplay=1[label]7:37 Increasing Iterations of MedChem Transformations[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=480&autoplay=1[label]8:00 Inspecting bioisosteric replacement rules[link end]
[link]video.chemcomp[d]com/watch/j8MJPjQ7abznhnqqyTAssk?second=568&autoplay=1[label]9:28 Qualitative analysis using the Database Browser[link end]
