Santa Fe, NM – OpenEye Scientific Software, Inc. (www.eyesopen.com) the developer of innovative molecular modeling and cheminformatics solutions for drug discovery, announces the first release of the Docking TK as part of the OpenEye Toolkit v1.7.4 release.

The Docking TK from OpenEye is a unique new programming library that provides core docking and scoring functionality. Coupled with the highly acclaimed cheminformatics functionality in OEChem, the Docking TK is an obvious choice for anyone seeking to develop new docking tools. The initial release of the toolkit supports docking, scoring, and optimization with the Chemgauss3, Chemscore, PLP, and Shapegauss scoring functions. The ligand-aware Hybrid Docking functionality unique to OpenEye’s FRED docking program is also provided in the toolkit. C++, Python, and Java are supported.

“At present, there are a wide variety of docking programs available to the community at large; however, until now there have been no resources in existence for individual methods developers to provide a common and well supported foundation for the development of new docking and scoring applications” reports Dr. Mark McGann, Principal Developer and author of the Docking TK.

Dr. Joseph Corkery, Vice President of Business Development, notes “we are very excited to add an additional offering to our suite of molecular modeling and cheminformatics toolkits. The Docking TK will enable developers to quickly and easily integrate docking functionality directly into their research informatics infrastructure.”

A complete list of all the Docking TK features can be seen at http://www.eyesopen.com/docking-tk

Resources

Request an evaluation: http://www.eyesopen.com/evaluation-request

Request a free academic license: http://www.eyesopen.com/academic-request

Download: http://www.eyesopen.com/downloads

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

•fragment replacement

•structure generation

•docking

•shape comparison

•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, as well as IBM and SUN flavors of UNIX. For further information on the company and its products, see www.eyesopen.com