Structure-Based Design

Finding key contacts for a protein-protein interface using Protein Contacts

This video shows how to analyze key contacts between; a protein–protein interface, for a given loop or region, or a specific re...
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

Using Surface and Maps to Understand Properties and HotSpots

This video shows how to generate visual representations of molecular surfaces and hotspots with examples applied to a protein-l...
Feb-09-2024

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

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

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

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

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

Using Structures from Cryo Electron Microscopy for Drug Design

Cryo electron microscopy (Cryo EM) allows structures to be solved rapidly for a new biological target. Many drug discovery proj...
Nov-21-2023

Solvent Analysis for Lead Optimization

The investigation of water molecule placements, both real and potential, around a protein-ligand complex can provide possible r...
Nov-21-2023