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Molecular Operating Environment

Integrated Computer-Aided Molecular Design Platform

Small Molecules - Peptides - Biologics

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CCG Video Library

Fragment-Based Discovery

Fragment Based Drug Design - Scaffold Replacement; Select R Atoms

This video covers the Fragment Based Drug Design tools in MOE, specifically using the scaffold replacement - Select R atoms ope...
Oct-18-2023

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

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

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
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