Subject: CCL:Rapid Database Docking System - 3-DPL Map - Now Available

From: Duncan Beniston <DBeniston(at)Chemnavigator.com>
Date: Mon, 2 Feb 2004 14:58:05 -0800

Dear CCLers:

ChemNavigator is pleased to announce the availability of its patented
3-Dimensional Protein - Ligand Docking System (3-DPL Map) for rapid,
flexible docking of millions of drug-like molecules to a 3D protein target.

3-DPL Map combines the concepts of "directed tweak" conformational flexing
with a patented strategy of pre-calculating derivative field grids.  These
derivative fields enable the rapid calculation of energy scores.  This
approach allows 3-DPL to analyze up to 15 flexible structures per second per
CPU while also addressing multiple binding sites on the protein.

3-DPL has three major advantages over current technologies:

1. Knowledge of Active Site Not Required: 
3-DPL includes an automated site detection method called the Convex Hull
Method.  This method automatically determines all potential binding regions
on the protein surface as well as initial starting position parameters for
each ligand.  3-DPL Map analyzes each small molecule at all potential
binding sites on the 3-D protein surface and avoids the need for active site
pre-definition.

2. Automatic Conformational Analysis: 
Each small molecule ligand is flexed and re-oriented thousands of times "on
the fly" in the search for potential matches between the ligand and the
protein surface.  3-DPL Map employs a unique and patented derivative field
grid to direct small molecules to favorable binding conformations.

3. Speed Enables in silico Screening of Millions of Small Molecules: 
Running on a single 1.4GHz Windows server, 3-DPL is able to evaluate over 8
million flexible chemical structures for binding across all potential sites
on the protein surface in less than 4 days.

For more information on 3-DPL Map and to request an evaluation, please
contact Duncan Beniston at ChemNavigator.

Duncan Beniston
Director of Business Development
ChemNavigator
dbeniston(at)chemnavigator.com
+858-450-9740