Subject: FRED 2.1 released - fast, effective docking of ligand within an active site

From: George Vacek <vacek %a% eyesopen.com>
Date: Tue, 14 Jun 2005 15:12:36 -0600

OpenEye is pleased to announce FRED 2.1, the latest release of an 
accurate and extremely fast docking program.  For every ligand, FRED 
systematicly searches all possible poses within a protein active site, 
filtering for shape complementarity and pharmacophoric features before 
evaluating with several scoring functions.

Key new features in FRED 2.1 include:
7 the use of multiple scoring functions during pose selection.  This 
consensus pose selection significantly improves the likelihood that the 
ligand is placed in the correct binding mode;
7 a more accurate version of the ChemGauss scoring function with 
significantly better hydrogen-bond perception;
7 customizable scoring functions and flexible consensus scoring methods;
7 greatly expanded documentation; and
7 docking analysis tools for investigating how various parameter 
settings affect the reproduction of known structures of ligand-receptor 
complexes.

For further information, please visit www.eyesopen.com or contact
business %a% eyesopen.com.

Regards,
George Vacek
VP, Business Development
OpenEye Scientific Software

-- 
Regards,
George Vacek

VP, Business
OpenEye Scientific Software
vacek %a% eyesopen.com
505.473.7385

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OpenEye recently announced the following software releases:

FRED 2.1 - accurate and extremely fast docking search for ligand
binding within a protein active site

OEChem 1.3.3 - cheminformatics and 3D molecular data handling

http://www.eyesopen.com/about/news/press_releases/
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