Protein, DNA/RNA Modeling

Analyzing protein surfaces for excess charge or hydrophobicity using Protein Patches

This video shows how to analyze protein surfaces for potential developability issues such as aggregation or solubility. [link...
Oct-18-2023

📌 Homology Modeling

This video shows how to generate a 3D structural model directly from sequence using the MOE Homology Modeler. [link]video.chem...
Dec-20-2024

📌 Protein-Protein Docking and Epitope Analysis

This video shows how to dock two proteins, protein to peptide or peptide to RNA, before identifying interacting residues and de...
Jan-15-2025

📌 Protein Properties and Liabilities Analysis

This video demonstrates how to calculate protein properties and assess liabilities on both a static structure and an ensemble o...
Jan-23-2025

📌 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

X-Ray Crystallography - Structure Preparation, Electron Density and Solvent

The webinar covers methods for evaluating, analyzing, and refining protein models derived from X-ray crystallographic data. Top...
May-03-2024

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

Building molecules using the Protein Builder

This video shows how to build a peptide from scratch; mutating residues, control backbone geometries, repacking and exploring r...
Feb-01-2024

Free Energy Calculations with Thermodynamic Integration in MOE using AMBER

Until the advent of GPU-accelerated molecular dynamics, alchemical free energy simulations had not been routinely applied in ea...
Dec-18-2023

From Structure to Dynamics Simulation: Running & Visualizing MD Trajectories

Setting up a Molecular Dynamics simulation starting from a protein PDB structure can be challenging. It involves: data preparat...
Dec-18-2023