Molecular Operating Environment(MOE) provides a suite of applications for manipulating and analyzing large collections of compounds. It is a fully integrated suite of computational chemistry, molecular modeling and informatics software for life science applications. The suite's applications are written in an embedded programming language, Scientific Vector Language (SVL),and can be easily customized since the SVL source code is provided in the distribution.
The Molecular Database is a disk-based spreadsheet central to
the manipulation and visualization of large collections of
compounds. Compound collections can be "washed" to remove salts and
solvents and to adjust protonation state of acids and bases.
- Structure-Based Design
- Fragment-Based Design
- Pharmacophore Discovery
- Medicinal Chemistry Applications
- Biologics Applications
- Protein and Antibody Modeling
- Molecular Modeling and Simulations
- Cheminformatics and QSAR