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Molecular Operating Environment

Integrated Computer-Aided Molecular Design Platform

Small Molecules - Peptides - Biologics

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CCG Video Library

Peptide Modeling

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

Analyzing and comparing Protein-Ligand complexes using Ligand Interactions

This video shows how to generate a Ligand Interaction diagram for identifying key interactions, steric fit, potential binding o...
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

Preparing a raw PDB file for use in MOE

This video shows how to prepare a raw PDB file for use in MOE for tasks such as interactive analysis or Docking. [link]video....
Oct-18-2023

Preparing a raw PDB file containing a Protein-Protein complex

This video shows how to prepare a raw PDB file containing a Protein-Protein complex (no small molecules present) for use in MOE...
Oct-18-2023

Preparing a raw PDB file containing multiple ligands

This video shows how to prepare a raw PDB file containing more than 1 ligand for use in MOE for tasks such as interactive analy...
Oct-18-2023
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