Structure-Based Design

Preparing an SDF file for use in MOE

This video shows how to prepare an SDF file for use in MOE such as docking, generating conformations or QSAR modeling. [link]...
Oct-18-2023

Analyzing and comparing Protein-Ligand complexes using Ligand Interactions

This video shows how to generate a Ligand Interaction diagram for identifying key interactions, steric fit, potential binding o...
Nov-21-2023

Interactive Structure-Based Peptide Optimization

This video covers MOE applications for interactive structure-based design, including active site visualization, protein-peptide...
Oct-18-2023

Fragment Based Drug Design - MedChem Transformations

This video covers the Fragment-Based Drug Design tools in MOE, specifically using the MedChem Transformations operation for mak...
Oct-18-2023

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 ligan...
Oct-18-2023

Fragment Based Drug Design - Add Group to Ligand

This video covers the Fragment-Based Drug Design tools in MOE, specifically using the Add Group to ligand operation for growing...
Oct-18-2023

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 separ...
Oct-18-2023

Fragment Based Drug Design - Scaffold Replacement; Fused Ring

This video covers the Fragment-Based Drug Design tools in MOE, specifically using the scaffold replacement operation to generat...
Oct-18-2023

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 ope...
Oct-18-2023

Fragment Based Drug Design - Scaffold Replacement

This video covers the Fragment-Based Drug Design tools in MOE, specifically using the scaffold replacement operation to replace...
Oct-18-2023