Structure-Based Design

Interactive Structure-Based Drug Design

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

Pharmacophore Guided Docking

This video covers MOE applications for protein-ligand docking, including pharmacophore-guided docking which ensures high-qualit...
Oct-18-2023

Preparing a raw PDB file for use in MOE

This video shows how to prepare a raw PDB file for use in MOE for tasks such as interactive analysis or Docking. [link]video....
Oct-18-2023

Performing Solvent Analysis on a Protein-Ligand Complex

This video shows how to use the Solvent Analysis tool, to predict the location and energetic favorability of water molecules in...
Oct-09-2024

Template-Based Docking

This video shows how to dock a congeneric series of ligands using a crystal ligand as a template. [link]video.chemcomp[d]com/...
Oct-18-2023

Preparing a raw PDB file containing a Protein-Protein complex

This video shows how to prepare a raw PDB file containing a Protein-Protein complex (no small molecules present) for use in MOE...
Oct-18-2023

Preparing a raw PDB file containing multiple ligands

This video shows how to prepare a raw PDB file containing more than 1 ligand for use in MOE for tasks such as interactive analy...
Oct-18-2023

Covalent Docking

This video covers the reaction-based Covalent Docking tool in MOE. Here, a virtual reaction is used to covalently attach ligand...
Oct-18-2023

Finding Druggable Binding Pockets Using SiteFinder

This video shows how to find druggable binding pockets using the SiteFinder application. [link]video.chemcomp[d]com/watch/2VtM...
Oct-18-2023

Building molecules using the Small Molecule Builder

This video shows how to build a small molecule from scratch; modifying atoms and bond orders, controlling dihedral angles, ster...
Jan-26-2024