Subject: Arguslab is also free docking software for teaching and academic research :)

From: "Mark Thompson" <mark _()_ arguslab.com>
Date: Thu, 21 Apr 2005 09:35:36 -0700

I could not resist :)

ArgusLab 4.1 is completely free for everyone and has a terrific docking
suite.  The ShapeDock engine in ArgusLab is an "exhaustive" search algorithm
of my own invention and is very fast.

ArgusLab also includes a large suite of electronic structure capabilities
including EHT, AM1, PM3, ZINDO, and a terrific interface to Gaussian 98 and
Gaussian 03.  Also included is a nice 3D molecule builder and extensive
support for visualizing  results, surfaces, etc.

Get it for free at http://www.arguslab.com

Cheers,
Mark

-----Original Message-----
From: Computational Chemistry List [mailto:chemistry-request _()_ ccl.net]On
Behalf Of Aniko Simon
Sent: Tuesday, April 19, 2005 6:28 PM
To: CCL
Subject: CCL:announcing eHiTS: free docking software for teaching and
academic research

SimBioSys offers eHiTS 5.1 free for teaching and academic research!

eHiTS is the truly exhaustive docking program that explores the full
conformational and pose space. The newly released version 5.1 ships with a
fully automated training facility that can tune the scoring function to
particular receptors or protein families, improving both accuracy and
enrichment results.

eHiTS consistently outperforms other docking tools in validation
comparisons,
using publically available datasets, resulting in more accurate docking
poses.  In addition, the automated handling of protontation states produces
more accurate screening results for large databases, where up-front
estimating of the protonation states for all ligand/receptor combinations is
impossible.  eHiTS evaluates all possible protonation states in a single
run.

To further improve the great results of eHiTS, the new training facility
allows the user to tailor the scoring functions to recognize particular
families of interest and better score ligands that make key interactions.
The training utility is very simple to use and can improve both accuracy and
enrichment results.

SimBioSys recognizes the importance of docking research in the academic
world,
and the financial constraints of many academic institutions.  With this in
mind, we are offering eHiTS 5.1 free for most academic institutions.

For more information about eHiTS 5.1 and to obtain an evaluation of the
software, please visit our website (www.simbiosys.ca) and fill out a demo
request form.

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