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Molecular Operating Environment
Integrated Computer-Aided Molecular Design Platform
Small Molecules - Peptides - Biologics
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Newly Added Videos
🆕 Rigid body Conformational Search
This video shows how to perform a conformational search with parts of the system held rigid to maintain local structural integr...
May-12-2025
🆕 Pharmacophore Search using Extended Hückel Theory
This video shows how to leverage the Extended Huckel annotation scheme to encode feature strength as part of a Pharmacophore Se...
Apr-22-2025
🆕 MOE license installation for Linux
This video shows how to configure a MOE License Server that allows multiple people to access MOE tokens within the same organiz...
Apr-07-2025
🆕 Sampling and Building Linkers with the Linker Modeler
This video demonstrates how to sample and build linker conformations. The Loop and Linker Modeler can be used to sample loops f...
Apr-03-2025
🆕 Matched Molecular Pairs for Interactive SAR Analysis
This video shows how to explore Matched Molecular Pairs in MOEsaic. This is useful to identify activity cliffs and bioisosteri...
Feb-24-2025
🆕 Sampling and Building Loops with the Loop Modeler
This video shows how to sample and build loop conformations. The Loop and Linker Modeler can be used to sample loops for homol...
Feb-24-2025
🆕 Pharmacophore-guided Biologics Virtual Screening
This video shows how to screen potential binding partners against a target as an ultra-fast alternative to protein-protein dock...
Feb-07-2025
🆕 Introduction to MOEsaic for Interactive SAR Analysis
This video shows how to upload a dataset to a local MOEsaic instance, and perform basic searches to first identify if a given c...
Feb-06-2025
🆕 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
🆕 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