OpenEye Scientific Software
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| Type | Privately held, Employee Owned, C Corporation |
|---|---|
| Industry | Computer software Research and development Biotechnology Cheminformatics |
| Founded | 1997 |
| Headquarters | Santa Fe, New Mexico, USA |
| Employees | 20-50 |
| Website | www.eyesopen.com |
OpenEye Scientific Software develops large-scale molecular modeling applications and toolkits.
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[edit] Scope
Primarily geared towards drug discovery and design, areas of application include structure generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization. The software is designed for scientific rigor, as well as speed, scalability and platform independence.
OpenEye makes much of its technology available as toolkits suitable for custom development.
[edit] Application Software
- AFITT - Crystallographic refinement and analysis.
- BROOD - Bioisostere identification using shape, chemistry and electrostatic similarity.
- EON - Chemical similarity analysis via comparison of electrostatics overlay.
- FILTER - Molecular screening and selection based on physical property or functional group.
- FRED - Extremely fast, systematic docking search for ligand binding within a protein active site.
- OMEGA - Systematic high-throughput conformer generation, including 1D or 2D to 3D structure generation.
- QUACPAC - Quality charge states and charges for small molecules and proteins.
- ROCS - Chemical similarity analysis via rapid 3D molecular shape searches.
- SZYBKI - Fast structure optimization of ligands in gas-phase, solution, or within a protein active site.
- VIDA - Graphical user interface that visualizes, analyzes and manages corporate collections of molecular structures and information.
- VIVANT - Live molecular visualization inside of PowerPoint and web browsers.
[edit] Toolkits
Programming libraries providing other applications with object-oriented accessibility to a given set of capabilities.
- OEChem TK - Cheminformatics and 3D molecular data handling.
- SCUT Monkeys - All the apps that are included with OEChem.
- GraphSim TK - 2D molecular fingerprints and similarity calculations.
- MolProp TK - 2D molecular property calculation and filtering.
- Lexichem TK - State-of-the-art compound name and structure interconversion with support for multiple languages.
- Ogham TK - Elegant 2D structure rendering of compounds.
- Omega TK - Conformer generation.
- Shape TK - Molecular shape comparisons based on 3D overlays.
- Spicoli TK - Rapid molecular surface generation and manipulation.
- Syzkbi TK - Generalized function optimization, e.g. molecular structure optimization.
- Zap TK - An efficient Poisson-Boltzmann electrostatics solver.
