POSIT v1.0.0 released
Traditional structure-based pose prediction has not been very accurate in reproducing crystallographic poses. This can be rectified with POSIT by using all of the information present in a crystal structure - both ligand and protein structure. POSIT is a flexible docking technique that uses both the known protein and ligand structure to predict poses. Furthermore, using this information generates a prospective probability that the predicted pose is correct.
POSIT is available for download now. To obtain a license, please contact your account manager or email business@eyesopen.com to request one.
RESOURCES
FEATURES- Probability based pose prediction
- Performs better than structure-based pose prediction for poses similar to known bound ligands
- All-atom optimization of poses based on known bound-ligands and ligand-protein interactions
- Fast detection of best known receptor (complex) to determine pose
About OpenEye Scientific Software
OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts, Strasbourg, France and Tokyo, Japan. It was founded in 1997 to develop large-scale molecular modeling applications and toolkits. Primarily aimed towards drug discovery and design, areas of application include:
- chemical informatics
- structure generation
- shape comparison
- docking
- fragment replacement
- electrostatics
- crystallography
- visualization
The software is designed for scientific rigor, as well as speed, scalability and platform independence. OpenEye makes most of its technology available as toolkits - programming libraries suitable for custom development. OpenEye software typically is distributable across multiple processors, supports 64-bit processing, and runs on Linux, Windows and Mac OS X. For further information on the company and its products, see www.eyesopen.com
For additional information
Joseph Corkery, M.D.
Vice President, Business Development
+1-505-473-7385 x76
Email: business@eyesopen.com
