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

Pharmacophore Guided Docking

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

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

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

AmberEHT Forcefield: Novel Approaches to Small Molecule Parameterization

A new methodology to determine bonded forcefield parameters is presented. A coordinate-free Hückel calculation is the basis for...
Oct-18-2024

Probing the Psychedelic Structure-Activity Space

Psychedelic compounds are powerful substances that alter cognitive and sensory functions. Psilocybin (magic mushrooms), mescali...
Dec-18-2023

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

Advanced Small-Molecule Docking

The webinar covers advanced docking workflows encountered in drug discovery projects and includes a range of related topics fro...
Nov-21-2023