Virtual Screening

Pharmacophore Search

This video shows how to perform a Pharmacophore Search to find novel compounds based on their pharmacophoric features. [link...
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

Pharmacophore Guided Docking

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

Creating a storyboard and tracking design ideas using Capture

This video covers how to capture the contents of the MOE window (e.g., viewpoints, rendering, surfaces, ligand properties, and ...
Oct-24-2024

Computing molecular properties for a database of small molecules using Calculate Descriptors

This video shows how to compute molecular properties for a database of molecules for tasks such as filtering, building QSAR mod...
Nov-21-2023

New and Enhanced Features in MOE 2024.06

CCG is pleased to announce the 2024 release of the Molecular Operating Environment, MOE. In this webinar we will present new fe...
Oct-03-2024

Template-Guided Docking of Small Molecules to Explore R-Group Substitutions

A common strategy for optimizing the properties of a small-molecule lead compound is systematically vary the R-groups attached ...
Nov-21-2023

Combinatorial Library Enumeration for Structure-Based Drug Design

A thorough investigation of possible substituents around a molecular core which we wish to preserve is a common way forward in ...
Nov-21-2023

Structure-Based Molecular Transformations

The exploration of the immense chemical space for the discovery or optimization of novel drug structures presents a significant...
Nov-21-2023