From owner-chemistry@ccl.net Thu Jul 10 13:18:01 2008
From: "Thomas E Exner thomas.exner+/-uni-konstanz.de" <owner-chemistry_._server.ccl.net>
To: CCL
Subject: CCL: Protein-Ligand-Docking Software PLANTS
Message-Id: <-37321-080710102025-15838-E/2kdxRdWHyZwKi/UaeVRg_._server.ccl.net>
X-Original-From: "Thomas E Exner" <thomas.exner[*]uni-konstanz.de>
Date: Thu, 10 Jul 2008 10:20:21 -0400


Sent to CCL by: "Thomas E Exner" [thomas.exner^_^uni-konstanz.de]
Dear CCLers,

we would like to announce our new protein-ligand docking software PLANTS (Protein-Ligand ANT System). The docking algorithm is based on a class of stochastic optimization algorithms called ant colony optimization (ACO). ACO is inspired by the behavior of real ants finding a shortest path between their nest and a food source. The following features are available:

* ACO-based search engine
* full ligand flexibility
* two scoring functions (PLANTSCHEMPLP and PLANTSPLP)
* flexible protein side-chains
* rigid-body docking of multiconformer libraries into rigid and flexible receptors
* constraint system
* docking with selected explicit, displaceable water molecules
* fully automatic ligand setup (rotatable bond identification, atom typing ...)
* virtual screening
* rescoring capability

A trial version can be downloaded from http://www.tcd.uni-konstanz.de/research/plants.php. A free unrestricted license for non-profit organizations will be sent out on request. For commercial use, please contact the authors.

Please, feel free to test it and sent us your comments.
Thomas Exner
University of Konstanz