Molecular Operating Environment


MOE Logo Blue with.png
Developer(s)Chemical Computing Group
Written inScientific Vector Language
Operating systemCross-platform
TypeMolecular modelling

Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research. MOE runs on Windows, Linux, Unix, and macOS. Main application areas in MOE include structure-based design,[1] fragment-based design,[2] pharmacophore discovery, medicinal chemistry applications, biologics applications, protein and antibody modeling, molecular modeling and simulations, cheminformatics & QSAR. The Scientific Vector Language (SVL) is the built-in command, scripting and application development language of MOE.


  1. ^ Reynolds CH, Merz KM, Ringe D, eds. (2010). Drug Design: Structure- and Ligand-Based Approaches (1 ed.). Cambridge, UK: Cambridge University Press. ISBN 978-0521887236.
  2. ^ Erlanson DA, McDowell RS, O'Brien T (July 2004). "Fragment-based drug discovery". J. Med. Chem. 47 (14): 3463–82. doi:10.1021/jm040031v. PMID 15214773.

External links

  • Official website
  • MOE Structure-Based Design
  • MOE Fragment-Based Design
  • MOE Pharmacophore Discovery
  • MOE Medicinal Chemistry Applications
  • MOE Biologics Applications
  • MOE Protein and Antibody Modeling
  • MOE Molecular Modeling and Simulations
  • MOE Cheminformatics and QSAR
  • MOE Methods Development and Deployment
  • Chemical Computing Group