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Schrödinger is a leading provider of advanced molecular simulations and enterprise software solutions and services for life sciences and materials research. “Schrödinger is a scientific leader in computational chemistry” The software suite ranges from general molecular dynamics to drug design tools and software.
The suite includes, but is not limited to, the following packages. For a complete list, see: http://www.schrodinger.com/smdd/
- Maestro - A powerful, all-purpose molecular modeling environment
- Maestro Elements - A streamlined version of the Maestro interface with integrated computational analyses designed for medicinal chemists
- Canvas - A comprehensive cheminformatics computing environment
- Knime - A modular, highly configurable framework for easy workflow automation and data analysis
- BioLuminate – Providing a comprehensive modeling solution for biologics
- Glide - A complete solution for ligand-receptor docking
- Desmond – (HPC only) High-performance molecular dynamics simulations for biomolecular systems
- Jaguar – (HPC only) Rapid ab initio electronic structure package
- PyMOL – Is an open-source molecular visualization system built on an open-source foundation. That means you get free access to source code--hence 'open source.' Schrödinger compiles and sells ready-to-run binaries for Windows, Mac, and Linux
Schrödinger is available free to all UMass Amherst faculty, staff, and students, through February 3, 2020.
See the Schrödinger knowledgebase article: http://www.schrodinger.com/kb/1460