From owner-chemistry@ccl.net Fri Jan  4 23:05:00 2013
From: "Scott Brozell sbrozell(a)rci.rutgers.edu" <owner-chemistry!A!server.ccl.net>
To: CCL
Subject: CCL: Announcement: Release of DOCK 6.6
Message-Id: <-48042-130104230242-30668-oZxhrTzQV+8BE9HOYcjBnw!A!server.ccl.net>
X-Original-From: Scott Brozell <sbrozell(_)rci.rutgers.edu>
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Date: Fri, 4 Jan 2013 23:02:33 -0500
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Sent to CCL by: Scott Brozell [sbrozell],[rci.rutgers.edu]

We are pleased to announce the release of DOCK 6.6.

DOCK is a suite of programs for molecular docking.
In version 6.6 two new scoring functions are available:
Grid-based footprint scoring and SASA-based scoring.

The MultiGrid Footprint Score calculates the pair-wise interaction energies
over multiple grids.  Important receptor residues are initially identified
with a reference ligand, and individual grids are generated to
model such residues. 

The SASA score calculates the percent exposure of a ligand, and the
percentage of the hydrophobic portion of a ligand and the receptor that
are buried in the pocket.

In addition, a symmetry corrected RMSD (Hungarian matching) method was added
to facilitate pose reproduction studies.

For full information on what is new in DOCK 6.6, please visit:

      http://dock.compbio.ucsf.edu/DOCK_6/new_in_6.6.txt

Sincerely,

The DOCK Team

Please visit us at the DOCK Web site.
http://dock.compbio.ucsf.edu