Ligand-Based Design

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/KJXpfRBD7iQzVaugSniW...
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

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

🆕 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

🆕 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

Introducing CLE: An Interactive Web-Based Combinatorial Library Enumerator

MOE’s new Combinatorial Library Enumerator application is designed to help chemists select suitable reagents from available com...
Dec-18-2023

Revealing Conformational Behavior in Solution through NMR Data Analysis

A dynamic, small molecule ligand may adopt a range of conformations in solution compared to its constrained conformation when b...
Nov-21-2023

LowModeMD: Conformational Search of Macrocycles and Protein Loops

We present a method for conformational search of complex molecular systems such as macrocycles and protein loops. The method is...
Nov-21-2023