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Molecular Operating Environment

Integrated Computer-Aided Molecular Design Platform

Small Molecules - Peptides - Biologics

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CCG Video Library

Virtual Screening

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

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

In Silico Fragment-Based Drug Design: Approaches and Applications

Fragment-based drug design (FBDD) is a key approach in the discovery of high-quality drug candidates. As a complement to biophy...
Nov-21-2023

Preparing an SDF file for use in MOE

This video shows how to prepare an SDF file for use in MOE such as docking, generating conformations or QSAR modeling. [link]...
Oct-18-2023

Covalent Docking

This video covers the reaction-based Covalent Docking tool in MOE. Here, a virtual reaction is used to covalently attach ligand...
Oct-18-2023
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