Structure-Based Design

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

Finding key contacts for a protein-protein interface using Protein Contacts

This video shows how to analyze key contacts between; a protein–protein interface, for a given loop or region, or a specific re...
Oct-18-2023

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

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