Subject: New Edition of JCCG

From: "Bill Hayden" <[email-masked]>
Date: Mon, 2 Apr 2001 04:26:51 -0400

The Journal of the Chemical Computing Group - JCCG (CCG's web site)
has posted a new "edition".

Included are articles on:

1.  Protein Structure and Family Data in MOE 2001.01: The contents of the
MOE structural family database are summarized, and compared to the
protein families and superfamilies in the SCOP. The new capabilities of
MOE's PDB reader are also summarized.

2.  Locating Binding Sites in Protein Structures:  A methodology is
presented for locating candidate active sites in protein structures.
The method is based upon alpha shape analysis of 3D protein coordinates.

3.  Probabilistic Receptor Potentials: A methodology is presented for
determining the preferred locations of ligand atoms when given the 3D
coordinates of a receptor. The approach is based upon fitting experimental
data with analytical probability distributions.

In additon, you can find information on MOE - the Molecular Operating
Environment,
Company Background and past articles and features.

Bill Hayden
Vice President, Sales & Marketing
CHEMICAL COMPUTING GROUP
[email-masked]
phone - (514) 393 1055 ext. 27
fax - (514) 874 9538
http://www.chemcomp.com