• MOE (Molecular Operating Environment)^[1]

MOE is a drug discovery software platform that integrates visualization, modeling, and simulations, as well as methodology development. 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 MAC OS X.

Main application areas: Structure-Based Design, Fragment-Based Design, Pharmacophore Discovery, Medicinal Chemistry Applications, Biologics Applications, Protein and Antibody Modeling, Molecular Modeling and Simulations, Cheminformatics & QSAR

• PSILO: A Protein Structure Database System^[2]

PSILO is a protein structure database system that provides a repository for macromolecular and protein-ligand structural information. It allows research organizations to track, register and search both experimental and computational macromolecular structural data. A web-browser interface facilitates the searching and accessing of public and private structural data.

Other institutions developing software for computational chemistry:

• Accelrys
• BioSolveIT
• Cresset Biomolecular Discovery
• Desert Scientific Software
• Inte:Ligand
• MolSoft
• OpenEye Scientific Software
• Pharmacelera
• Schrödinger
• VLifeMDS Software
• NovaMechanics Ltd Cheminformatics Solutions

1. ^ MOE (Molecular Operating Environment)
2. ^ PSILO: A Protein Structure Database System

• Official website
• Excellence Award for student posters at ACS National Meetings
• Review of MOE 2005.06
• Molecular fingerprints in MOE
• Discussion of Binary QSAR: Jürgen Bajorath (2004), Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery page 92 ISBN 978-1-58829-261-2