Software - Computational Suites

MOE

MOE (Molecular Operating Environment) is a comprehensive software system for Life Science. MOE is a combined Applications Environment and Methodology Development Platform that integrates visualization, simulation and application development in one package. MOE contains a broad base of scientific applications for general modeling, drug design, homology modeling, library design.  MOE is licensed by the School of Chemical Sciences and is part of the Scientific Software Program.

Tutorials

Introduction to molecular mechanics with MOE: Why does GFP need a beta-barrel shell?

Schrodinger

Schrodinger is a state-of-the-art chemical simulation software used for a variety of modeling, analysis and computational tasks such as drug discovery and optimization, molecular simulations of chemical systems, and molecule design.  It is used in fields such as pharmacology and biotechnology research.  The Schrodinger Suite is licensed by the School of Chemical Sciences and is part of the Scientific Software Program.