Ligand-Based Design

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

CLE: An Interactive Web-Based Combinatorial Library Enumerator

This video covers the Web-Based Combinatorial Library Enumerator in MOE. [link]video.chemcomp[d]com/watch/oamYtMVNqacZ9dnJLB1C...
Oct-18-2023

How to Align Two Small Molecules Using Flexible Alignment

Flexible Alignment is an application for flexibly aligning small molecules. The method accepts as input a collection of small m...
Jun-26-2023

Interactive superposition of two or more molecules using Superpose Molecules

This video shows how to interactively superpose two protein-ligand complexes based on a set of selected atoms from each bound l...
Nov-21-2023

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

Interactive Database Filtering

This video shows how to analyze, visualize, and interactively filter a database of molecules using the Filter Database applicat...
Dec-17-2024

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 Search

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

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